9793868 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 7 7 7 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 2 2 2 3 3 4 4 4 4 5 5 5 6 6 6 7 7 7 8 9 9 10 11 8 11 22 9 24 25 10 11 5 6 12 13 7 14 15 8 16 17 9 18 19 10 20 21 23 26 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 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 8.4813 2.5896 8.9813 5.9781 5.027 6.7212 4.2839 7.6723 3.3328 7.9813 9.2903 6.4666 5.687 4.5384 5.3181 6.2326 7.0123 4.7724 3.9928 2.8442 3.6239 8.4813 7.6168 2 2.7186 9.8799 -0.8273 0.8408 0.7116 0.1206 -0.1884 -0.5485 0.4807 -0.2395 0.1717 0.7116 -0.2395 0.5023 0.668 -0.5701 -0.7358 -0.9302 -1.096 0.8624 1.0281 -0.21 -0.3757 -1.4473 1.2131 0.6492 1.4473 -0.4311 8 8 8 8 8 1 1 3 3 8 8 11 10 11 10 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 95.3 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C0730000000000000000000000000000000160000000000000000000000000018000001C00100000000808C116042D9016C99000A0011467640000802DB112A00151803870088068024099009400000890024040211080000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-(1H-imidazol-5-yl)pentan-1-amine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-(1H-imidazol-5-yl)-1-pentanamine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-(1<I>H</I>-imidazol-5-yl)pentan-1-amine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-(1H-imidazol-5-yl)pentan-1-amine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-(1H-imidazol-5-yl)pentan-1-amine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-(1H-imidazol-5-yl)pentylamine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C8H15N3/c9-5-3-1-2-4-8-6-10-7-11-8/h6-7H,1-5,9H2,(H,10,11) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 MZCJWLAXZRFUPI-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 0.5 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 153.126597491 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C8H15N3 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 153.22 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=C(NC=N1)CCCCCN SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=C(NC=N1)CCCCCN Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 54.7 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 153.126597491 11 0 0 0 0 0 0 0 1 2