N'-cyclohexylpentane-1,5-diamine;N'-cyclopropylpentane-1,5-diamine;N'-(1,2-dimethyl-2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine;N'-(1,7-dimethyl-2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine;N'-[2,3-dimethyl-4-(trifluoromethyl)phenyl]pentane-1,5-diamine;N'-(4-fluorophenyl)pentane-1,5-diamine;N'-(4-methoxyphenyl)pentane-1,5-diamine;nonakis(2-methylpropane-2-sulfinate);N'-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)pentane-1,5-diamine;N'-[[4-(trifluoromethyl)phenyl]methyl]pentane-1,5-diamine

C153H278F7N18O19S9-9 — CID 158981553

About N'-cyclohexylpentane-1,5-diamine;N'-cyclopropylpentane-1,5-diamine;N'-(1,2-dimethyl-2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine;N'-(1,7-dimethyl-2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine;N'-[2,3-dimethyl-4-(trifluoromethyl)phenyl]pentane-1,5-diamine;N'-(4-fluorophenyl)pentane-1,5-diamine;N'-(4-methoxyphenyl)pentane-1,5-diamine;nonakis(2-methylpropane-2-sulfinate);N'-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)pentane-1,5-diamine;N'-[[4-(trifluoromethyl)phenyl]methyl]pentane-1,5-diamine

N'-cyclohexylpentane-1,5-diamine;N'-cyclopropylpentane-1,5-diamine;N'-(1,2-dimethyl-2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine;N'-(1,7-dimethyl-2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine;N'-[2,3-dimethyl-4-(trifluoromethyl)phenyl]pentane-1,5-diamine;N'-(4-fluorophenyl)pentane-1,5-diamine;N'-(4-methoxyphenyl)pentane-1,5-diamine;nonakis(2-methylpropane-2-sulfinate);N'-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)pentane-1,5-diamine;N'-[[4-(trifluoromethyl)phenyl]methyl]pentane-1,5-diamine (PubChem CID 158981553) has the molecular formula C153H278F7N18O19S9-9 and a molecular weight of 3095.60 g/mol. Its IUPAC name is N'-cyclohexylpentane-1,5-diamine;N'-cyclopropylpentane-1,5-diamine;N'-(1,2-dimethyl-2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine;N'-(1,7-dimethyl-2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine;N'-[2,3-dimethyl-4-(trifluoromethyl)phenyl]pentane-1,5-diamine;N'-(4-fluorophenyl)pentane-1,5-diamine;N'-(4-methoxyphenyl)pentane-1,5-diamine;nonakis(2-methylpropane-2-sulfinate);N'-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)pentane-1,5-diamine;N'-[[4-(trifluoromethyl)phenyl]methyl]pentane-1,5-diamine.

Molecular Properties

• Compound Name: N'-cyclohexylpentane-1,5-diamine;N'-cyclopropylpentane-1,5-diamine;N'-(1,2-dimethyl-2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine;N'-(1,7-dimethyl-2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine;N'-[2,3-dimethyl-4-(trifluoromethyl)phenyl]pentane-1,5-diamine;N'-(4-fluorophenyl)pentane-1,5-diamine;N'-(4-methoxyphenyl)pentane-1,5-diamine;nonakis(2-methylpropane-2-sulfinate);N'-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)pentane-1,5-diamine;N'-[[4-(trifluoromethyl)phenyl]methyl]pentane-1,5-diamine
• PubChem CID: 158981553
• Molecular Formula: C153H278F7N18O19S9-9
• Molecular Weight: 3095.60 g/mol
• Exact Mass: 3092.88
• IUPAC Name: N'-cyclohexylpentane-1,5-diamine;N'-cyclopropylpentane-1,5-diamine;N'-(1,2-dimethyl-2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine;N'-(1,7-dimethyl-2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine;N'-[2,3-dimethyl-4-(trifluoromethyl)phenyl]pentane-1,5-diamine;N'-(4-fluorophenyl)pentane-1,5-diamine;N'-(4-methoxyphenyl)pentane-1,5-diamine;nonakis(2-methylpropane-2-sulfinate);N'-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)pentane-1,5-diamine;N'-[[4-(trifluoromethyl)phenyl]methyl]pentane-1,5-diamine
• SMILES: CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC1Cc2cc(NCCCCCN)ccc2C1C.COc1ccc(NCCCCCN)cc1.Cc1c(NCCCCCN)ccc(C(F)(F)F)c1C.Cc1cc(NCCCCCN)cc2c1C(C)CC2.Cc1ccc(NCCCCCN)c2c1CCCC2.NCCCCCNC1CC1.NCCCCCNC1CCCCC1.NCCCCCNCc1ccc(C(F)(F)F)cc1.NCCCCCNc1ccc(F)cc1
• InChI: InChI=1S/3C16H26N2.C14H21F3N2.C13H19F3N2.C12H20N2O.C11H17FN2.C11H24N2.C8H18N2.9C4H10O2S/c1-12-10-14-11-15(6-7-16(14)13(12)2)18-9-5-3-4-8-17;1-12-6-7-14-11-15(10-13(2)16(12)14)18-9-5-3-4-8-17;1-13-9-10-16(18-12-6-2-5-11-17)15-8-4-3-7-14(13)15;1-10-11(2)13(19-9-5-3-4-8-18)7-6-12(10)14(15,16)17;14-13(15,16)12-6-4-11(5-7-12)10-18-9-3-1-2-8-17;1-15-12-7-5-11(6-8-12)14-10-4-2-3-9-13;12-10-4-6-11(7-5-10)14-9-3-1-2-8-13;12-9-5-2-6-10-13-11-7-3-1-4-8-11;9-6-2-1-3-7-10-8-4-5-8;9*1-4(2,3)7(5)6/h6-7,11-13,18H,3-5,8-10,17H2,1-2H3;10-12,18H,3-9,17H2,1-2H3;9-10,18H,2-8,11-12,17H2,1H3;6-7,19H,3-5,8-9,18H2,1-2H3;4-7,18H,1-3,8-10,17H2;5-8,14H,2-4,9-10,13H2,1H3;4-7,14H,1-3,8-9,13H2;11,13H,1-10,12H2;8,10H,1-7,9H2;9*1-3H3,(H,5,6)/p-9
• InChIKey: XQDWGVCWAAJKHB-UHFFFAOYSA-E
• XLogP: 30.79
• TPSA: 712.85 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 37
• Rotatable Bonds: 56
• Heavy Atoms: 206
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3095.60
LogP ≤ 5	30.79
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N'-cyclohexylpentane-1,5-diamine;N'-cyclopropylpentane-1,5-diamine;N'-(1,2-dimethyl-2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine;N'-(1,7-dimethyl-2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine;N'-[2,3-dimethyl-4-(trifluoromethyl)phenyl]pentane-1,5-diamine;N'-(4-fluorophenyl)pentane-1,5-diamine;N'-(4-methoxyphenyl)pentane-1,5-diamine;nonakis(2-methylpropane-2-sulfinate);N'-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)pentane-1,5-diamine;N'-[[4-(trifluoromethyl)phenyl]methyl]pentane-1,5-diamine?

The IUPAC name of N'-cyclohexylpentane-1,5-diamine;N'-cyclopropylpentane-1,5-diamine;N'-(1,2-dimethyl-2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine;N'-(1,7-dimethyl-2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine;N'-[2,3-dimethyl-4-(trifluoromethyl)phenyl]pentane-1,5-diamine;N'-(4-fluorophenyl)pentane-1,5-diamine;N'-(4-methoxyphenyl)pentane-1,5-diamine;nonakis(2-methylpropane-2-sulfinate);N'-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)pentane-1,5-diamine;N'-[[4-(trifluoromethyl)phenyl]methyl]pentane-1,5-diamine (CID 158981553) is N'-cyclohexylpentane-1,5-diamine;N'-cyclopropylpentane-1,5-diamine;N'-(1,2-dimethyl-2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine;N'-(1,7-dimethyl-2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine;N'-[2,3-dimethyl-4-(trifluoromethyl)phenyl]pentane-1,5-diamine;N'-(4-fluorophenyl)pentane-1,5-diamine;N'-(4-methoxyphenyl)pentane-1,5-diamine;nonakis(2-methylpropane-2-sulfinate);N'-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)pentane-1,5-diamine;N'-[[4-(trifluoromethyl)phenyl]methyl]pentane-1,5-diamine.

What is the SMILES notation for N'-cyclohexylpentane-1,5-diamine;N'-cyclopropylpentane-1,5-diamine;N'-(1,2-dimethyl-2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine;N'-(1,7-dimethyl-2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine;N'-[2,3-dimethyl-4-(trifluoromethyl)phenyl]pentane-1,5-diamine;N'-(4-fluorophenyl)pentane-1,5-diamine;N'-(4-methoxyphenyl)pentane-1,5-diamine;nonakis(2-methylpropane-2-sulfinate);N'-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)pentane-1,5-diamine;N'-[[4-(trifluoromethyl)phenyl]methyl]pentane-1,5-diamine?

The canonical SMILES for N'-cyclohexylpentane-1,5-diamine;N'-cyclopropylpentane-1,5-diamine;N'-(1,2-dimethyl-2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine;N'-(1,7-dimethyl-2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine;N'-[2,3-dimethyl-4-(trifluoromethyl)phenyl]pentane-1,5-diamine;N'-(4-fluorophenyl)pentane-1,5-diamine;N'-(4-methoxyphenyl)pentane-1,5-diamine;nonakis(2-methylpropane-2-sulfinate);N'-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)pentane-1,5-diamine;N'-[[4-(trifluoromethyl)phenyl]methyl]pentane-1,5-diamine is CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC1Cc2cc(NCCCCCN)ccc2C1C.COc1ccc(NCCCCCN)cc1.Cc1c(NCCCCCN)ccc(C(F)(F)F)c1C.Cc1cc(NCCCCCN)cc2c1C(C)CC2.Cc1ccc(NCCCCCN)c2c1CCCC2.NCCCCCNC1CC1.NCCCCCNC1CCCCC1.NCCCCCNCc1ccc(C(F)(F)F)cc1.NCCCCCNc1ccc(F)cc1.

What is the InChIKey of N'-cyclohexylpentane-1,5-diamine;N'-cyclopropylpentane-1,5-diamine;N'-(1,2-dimethyl-2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine;N'-(1,7-dimethyl-2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine;N'-[2,3-dimethyl-4-(trifluoromethyl)phenyl]pentane-1,5-diamine;N'-(4-fluorophenyl)pentane-1,5-diamine;N'-(4-methoxyphenyl)pentane-1,5-diamine;nonakis(2-methylpropane-2-sulfinate);N'-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)pentane-1,5-diamine;N'-[[4-(trifluoromethyl)phenyl]methyl]pentane-1,5-diamine?

The InChIKey is XQDWGVCWAAJKHB-UHFFFAOYSA-E. The full InChI is InChI=1S/3C16H26N2.C14H21F3N2.C13H19F3N2.C12H20N2O.C11H17FN2.C11H24N2.C8H18N2.9C4H10O2S/c1-12-10-14-11-15(6-7-16(14)13(12)2)18-9-5-3-4-8-17;1-12-6-7-14-11-15(10-13(2)16(12)14)18-9-5-3-4-8-17;1-13-9-10-16(18-12-6-2-5-11-17)15-8-4-3-7-14(13)15;1-10-11(2)13(19-9-5-3-4-8-18)7-6-12(10)14(15,16)17;14-13(15,16)12-6-4-11(5-7-12)10-18-9-3-1-2-8-17;1-15-12-7-5-11(6-8-12)14-10-4-2-3-9-13;12-10-4-6-11(7-5-10)14-9-3-1-2-8-13;12-9-5-2-6-10-13-11-7-3-1-4-8-11;9-6-2-1-3-7-10-8-4-5-8;9*1-4(2,3)7(5)6/h6-7,11-13,18H,3-5,8-10,17H2,1-2H3;10-12,18H,3-9,17H2,1-2H3;9-10,18H,2-8,11-12,17H2,1H3;6-7,19H,3-5,8-9,18H2,1-2H3;4-7,18H,1-3,8-10,17H2;5-8,14H,2-4,9-10,13H2,1H3;4-7,14H,1-3,8-9,13H2;11,13H,1-10,12H2;8,10H,1-7,9H2;9*1-3H3,(H,5,6)/p-9.

What are the key properties of N'-cyclohexylpentane-1,5-diamine;N'-cyclopropylpentane-1,5-diamine;N'-(1,2-dimethyl-2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine;N'-(1,7-dimethyl-2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine;N'-[2,3-dimethyl-4-(trifluoromethyl)phenyl]pentane-1,5-diamine;N'-(4-fluorophenyl)pentane-1,5-diamine;N'-(4-methoxyphenyl)pentane-1,5-diamine;nonakis(2-methylpropane-2-sulfinate);N'-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)pentane-1,5-diamine;N'-[[4-(trifluoromethyl)phenyl]methyl]pentane-1,5-diamine?

N'-cyclohexylpentane-1,5-diamine;N'-cyclopropylpentane-1,5-diamine;N'-(1,2-dimethyl-2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine;N'-(1,7-dimethyl-2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine;N'-[2,3-dimethyl-4-(trifluoromethyl)phenyl]pentane-1,5-diamine;N'-(4-fluorophenyl)pentane-1,5-diamine;N'-(4-methoxyphenyl)pentane-1,5-diamine;nonakis(2-methylpropane-2-sulfinate);N'-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)pentane-1,5-diamine;N'-[[4-(trifluoromethyl)phenyl]methyl]pentane-1,5-diamine has a molecular weight of 3095.60 g/mol, XLogP of 30.79, 56 rotatable bonds, 18 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for N'-cyclohexylpentane-1,5-diamine;N'-cyclopropylpentane-1,5-diamine;N'-(1,2-dimethyl-2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine;N'-(1,7-dimethyl-2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine;N'-[2,3-dimethyl-4-(trifluoromethyl)phenyl]pentane-1,5-diamine;N'-(4-fluorophenyl)pentane-1,5-diamine;N'-(4-methoxyphenyl)pentane-1,5-diamine;nonakis(2-methylpropane-2-sulfinate);N'-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)pentane-1,5-diamine;N'-[[4-(trifluoromethyl)phenyl]methyl]pentane-1,5-diamine is sourced from PubChem (CID 158981553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).