21972584 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 8 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 3 3 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 15 15 16 16 18 18 18 19 19 19 20 20 21 21 20 21 5 6 17 17 18 19 17 48 7 8 22 9 10 23 11 24 25 12 26 27 13 28 29 14 30 31 15 32 33 15 34 35 16 36 37 16 38 39 40 41 42 43 20 44 45 21 46 47 49 50 51 52 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 3.403 4.269 3.403 2.5369 4.269 5.135 3.403 5.135 6.001 5.135 3.403 5.135 6.8671 6.001 4.269 6.8671 3.403 4.269 2.5369 4.269 2.5369 4.8059 5.135 3.1909 2.7924 5.7456 5.3471 5.6025 6.3996 4.923 4.5244 2.7924 3.1909 5.3471 5.7456 7.0791 7.4776 6.3996 5.6025 3.8705 4.6675 7.4776 7.0791 4.481 4.8796 1.9264 2.3249 2 4.8796 4.481 2.3249 1.9264 3.25 -0.25 1.25 -0.25 -1.25 0.25 -1.75 -1.75 -0.25 1.25 -2.75 -2.75 0.25 1.75 -3.25 1.25 0.25 1.75 1.75 2.75 2.75 -0.94 -0.37 -1.1674 -1.8577 -1.8577 -1.1674 -0.7249 -0.7249 1.8326 1.1423 -2.6423 -3.3326 -3.3326 -2.6423 -0.3326 0.3577 2.225 2.225 -3.725 -3.725 1.1423 1.8326 1.1674 1.8577 1.8577 1.1674 0.06 2.6423 3.3326 3.3326 2.6423 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 311 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07B20000000000000000000000000000000000000003C6080000000000000000000001E00100000000828E180060100034004002000000020000000008000000100000800008200020088000700000800029000011000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N,N-dicyclohexylmorpholine-4-carboxamidine IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N,N-dicyclohexyl-4-morpholinecarboximidamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>,<I>N</I>-dicyclohexylmorpholine-4-carboximidamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N,N-dicyclohexylmorpholine-4-carboximidamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N,N-dicyclohexylmorpholine-4-carboximidamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N,N-dicyclohexylmorpholine-4-carboxamidine InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C17H31N3O/c18-17(19-11-13-21-14-12-19)20(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h15-16,18H,1-14H2 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 TXBLYSUHFDZQTC-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3.1 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 293.246712621 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C17H31N3O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 293.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1CCC(CC1)N(C2CCCCC2)C(=N)N3CCOCC3 SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1CCC(CC1)N(C2CCCCC2)C(=N)N3CCOCC3 Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 39.6 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 293.246712621 21 0 0 0 0 0 0 0 1 -1