1103 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 7 7 7 7 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 2 2 2 3 3 3 4 4 4 5 5 5 5 6 6 6 7 7 8 8 9 9 9 10 10 10 11 11 11 12 12 12 13 13 14 14 7 9 28 8 10 27 13 37 38 14 39 40 6 7 17 18 8 15 16 21 22 19 20 11 25 26 12 23 24 13 29 30 14 31 32 35 36 33 34 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 10.3312 6.001 13.7953 2.5369 8.5991 7.7331 9.4651 6.8671 11.1972 5.135 12.0632 4.269 12.9292 3.403 8.1316 7.3346 8.2006 8.9976 6.4685 7.2656 9.8637 9.0666 4.7365 5.5335 11.5957 10.7987 6.001 10.3312 11.6647 12.4617 4.6675 3.8705 3.0044 3.8015 13.3278 12.5307 14.3322 13.7953 2 2.5369 -0.25 0.25 -0.25 0.25 -0.25 0.25 0.25 -0.25 0.25 -0.25 -0.25 0.25 0.25 -0.25 0.7249 0.7249 -0.7249 -0.7249 -0.7249 -0.7249 0.7249 0.7249 -0.7249 -0.7249 0.7249 0.7249 0.87 -0.87 -0.7249 -0.7249 0.7249 0.7249 -0.7249 -0.7249 0.7249 0.7249 0.06 -0.87 -0.06 0.87 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 86.1 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.384 Cactvs xemistry.com 2011.09.13 4 Count Rotatable Bond 5 E_NROTBONDS 3.384 Cactvs xemistry.com 2011.09.13 11 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 00000371E0738000000000000000000000000000000000000000000000000000000000000000001C00100000000800C10004000002C0000000000000000000000000000000008008000000000000C0000400000010008000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 N,N'-bis(3-aminopropyl)butane-1,4-diamine IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 N,N'-bis(3-aminopropyl)butane-1,4-diamine IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 N,N'-bis(3-aminopropyl)butane-1,4-diamine IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 N,N'-bis(3-azanylpropyl)butane-1,4-diamine IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 3-aminopropyl-[4-(3-aminopropylamino)butyl]amine InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-12H2 InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 PFNFFQXMRSDOHW-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2011.09.13 -1.1 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 202.215747 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C10H26N4 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 202.34024 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 C(CCNCCCN)CNCCCN SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 C(CCNCCCN)CNCCCN Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 76.1 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 202.215747 14 0 0 0 0 0 0 0 1 1