4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine;[3-(aminomethyl)cyclohexyl]methanamine;4-[(4-amino-3-methylcyclohexyl)methyl]-2-methylcyclohexan-1-amine;3-(aminomethyl)-3,5,5-trimethylcyclohexan-1-amine;cyclohexane-1,2-diamine;cyclohexane-1,3-diamine;cyclohexane-1,4-diamine;N,N'-diethylpropane-1,3-diamine;N,N'-dimethylhexane-1,6-diamine;N,N'-dimethyl-N'-[6-(methylamino)hexyl]hexane-1,6-diamine;N,N'-dimethylpropane-1,3-diamine;piperidin-3-amine;4-(2-piperidin-4-ylethyl)piperidine;4-piperidin-4-ylpiperidine;4-(3-piperidin-4-ylpropyl)piperidine;N'-propan-2-ylpropane-1,3-diamine

C145H323N33 — CID 159828395

About 4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine;[3-(aminomethyl)cyclohexyl]methanamine;4-[(4-amino-3-methylcyclohexyl)methyl]-2-methylcyclohexan-1-amine;3-(aminomethyl)-3,5,5-trimethylcyclohexan-1-amine;cyclohexane-1,2-diamine;cyclohexane-1,3-diamine;cyclohexane-1,4-diamine;N,N'-diethylpropane-1,3-diamine;N,N'-dimethylhexane-1,6-diamine;N,N'-dimethyl-N'-[6-(methylamino)hexyl]hexane-1,6-diamine;N,N'-dimethylpropane-1,3-diamine;piperidin-3-amine;4-(2-piperidin-4-ylethyl)piperidine;4-piperidin-4-ylpiperidine;4-(3-piperidin-4-ylpropyl)piperidine;N'-propan-2-ylpropane-1,3-diamine

4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine;[3-(aminomethyl)cyclohexyl]methanamine;4-[(4-amino-3-methylcyclohexyl)methyl]-2-methylcyclohexan-1-amine;3-(aminomethyl)-3,5,5-trimethylcyclohexan-1-amine;cyclohexane-1,2-diamine;cyclohexane-1,3-diamine;cyclohexane-1,4-diamine;N,N'-diethylpropane-1,3-diamine;N,N'-dimethylhexane-1,6-diamine;N,N'-dimethyl-N'-[6-(methylamino)hexyl]hexane-1,6-diamine;N,N'-dimethylpropane-1,3-diamine;piperidin-3-amine;4-(2-piperidin-4-ylethyl)piperidine;4-piperidin-4-ylpiperidine;4-(3-piperidin-4-ylpropyl)piperidine;N'-propan-2-ylpropane-1,3-diamine (PubChem CID 159828395) has the molecular formula C145H323N33 and a molecular weight of 2529.41 g/mol. Its IUPAC name is 4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine;[3-(aminomethyl)cyclohexyl]methanamine;4-[(4-amino-3-methylcyclohexyl)methyl]-2-methylcyclohexan-1-amine;3-(aminomethyl)-3,5,5-trimethylcyclohexan-1-amine;cyclohexane-1,2-diamine;cyclohexane-1,3-diamine;cyclohexane-1,4-diamine;N,N'-diethylpropane-1,3-diamine;N,N'-dimethylhexane-1,6-diamine;N,N'-dimethyl-N'-[6-(methylamino)hexyl]hexane-1,6-diamine;N,N'-dimethylpropane-1,3-diamine;piperidin-3-amine;4-(2-piperidin-4-ylethyl)piperidine;4-piperidin-4-ylpiperidine;4-(3-piperidin-4-ylpropyl)piperidine;N'-propan-2-ylpropane-1,3-diamine.

Molecular Properties

• Compound Name: 4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine;[3-(aminomethyl)cyclohexyl]methanamine;4-[(4-amino-3-methylcyclohexyl)methyl]-2-methylcyclohexan-1-amine;3-(aminomethyl)-3,5,5-trimethylcyclohexan-1-amine;cyclohexane-1,2-diamine;cyclohexane-1,3-diamine;cyclohexane-1,4-diamine;N,N'-diethylpropane-1,3-diamine;N,N'-dimethylhexane-1,6-diamine;N,N'-dimethyl-N'-[6-(methylamino)hexyl]hexane-1,6-diamine;N,N'-dimethylpropane-1,3-diamine;piperidin-3-amine;4-(2-piperidin-4-ylethyl)piperidine;4-piperidin-4-ylpiperidine;4-(3-piperidin-4-ylpropyl)piperidine;N'-propan-2-ylpropane-1,3-diamine
• PubChem CID: 159828395
• Molecular Formula: C145H323N33
• Molecular Weight: 2529.41 g/mol
• Exact Mass: 2527.63
• IUPAC Name: 4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine;[3-(aminomethyl)cyclohexyl]methanamine;4-[(4-amino-3-methylcyclohexyl)methyl]-2-methylcyclohexan-1-amine;3-(aminomethyl)-3,5,5-trimethylcyclohexan-1-amine;cyclohexane-1,2-diamine;cyclohexane-1,3-diamine;cyclohexane-1,4-diamine;N,N'-diethylpropane-1,3-diamine;N,N'-dimethylhexane-1,6-diamine;N,N'-dimethyl-N'-[6-(methylamino)hexyl]hexane-1,6-diamine;N,N'-dimethylpropane-1,3-diamine;piperidin-3-amine;4-(2-piperidin-4-ylethyl)piperidine;4-piperidin-4-ylpiperidine;4-(3-piperidin-4-ylpropyl)piperidine;N'-propan-2-ylpropane-1,3-diamine
• SMILES: C(CC1CCNCC1)CC1CCNCC1.C1CC(C2CCNCC2)CCN1.C1CC(CCC2CCNCC2)CCN1.CC(C)NCCCN.CC1(C)CC(N)CC(C)(CN)C1.CC1CC(CC2CCC(N)C(C)C2)CCC1N.CCNCCCNCC.CNCCCCCCN(C)CCCCCCNC.CNCCCCCCNC.CNCCCNC.NC1CCC(CC2CCC(N)CC2)CC1.NC1CCC(N)CC1.NC1CCCC(N)C1.NC1CCCCC1N.NC1CCCNC1.NCC1CCCC(CN)C1
• InChI: InChI=1S/C15H35N3.C15H30N2.2C13H26N2.C12H24N2.C10H20N2.C10H22N2.C8H18N2.C8H20N2.C7H18N2.3C6H14N2.C6H16N2.C5H12N2.C5H14N2/c1-16-12-8-4-6-10-14-18(3)15-11-7-5-9-13-17-2;1-10-7-12(3-5-14(10)16)9-13-4-6-15(17)11(2)8-13;14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11;1(2-12-4-8-14-9-5-12)3-13-6-10-15-11-7-13;1(11-3-7-13-8-4-11)2-12-5-9-14-10-6-12;1-5-11-6-2-9(1)10-3-7-12-8-4-10;1-9(2)4-8(12)5-10(3,6-9)7-11;9-5-7-2-1-3-8(4-7)6-10;1-9-7-5-3-4-6-8-10-2;1-3-8-6-5-7-9-4-2;7-5-1-2-6(8)4-3-5;7-5-2-1-3-6(8)4-5;7-5-3-1-2-4-6(5)8;1-6(2)8-5-3-4-7;6-5-2-1-3-7-4-5;1-6-4-3-5-7-2/h16-17H,4-15H2,1-3H3;10-15H,3-9,16-17H2,1-2H3;10-13H,1-9,14-15H2;12-15H,1-11H2;11-14H,1-10H2;9-12H,1-8H2;8H,4-7,11-12H2,1-3H3;7-8H,1-6,9-10H2;9-10H,3-8H2,1-2H3;8-9H,3-7H2,1-2H3;3*5-6H,1-4,7-8H2;6,8H,3-5,7H2,1-2H3;5,7H,1-4,6H2;6-7H,3-5H2,1-2H3
• InChIKey: NNDJBATVDYBVAD-UHFFFAOYSA-N
• XLogP: 16.97
• TPSA: 612.04 Ų
• H-Bond Donors: 32
• H-Bond Acceptors: 33
• Rotatable Bonds: 50
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2529.41
LogP ≤ 5	16.97
H-Bond Donors ≤ 5	32
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine;[3-(aminomethyl)cyclohexyl]methanamine;4-[(4-amino-3-methylcyclohexyl)methyl]-2-methylcyclohexan-1-amine;3-(aminomethyl)-3,5,5-trimethylcyclohexan-1-amine;cyclohexane-1,2-diamine;cyclohexane-1,3-diamine;cyclohexane-1,4-diamine;N,N'-diethylpropane-1,3-diamine;N,N'-dimethylhexane-1,6-diamine;N,N'-dimethyl-N'-[6-(methylamino)hexyl]hexane-1,6-diamine;N,N'-dimethylpropane-1,3-diamine;piperidin-3-amine;4-(2-piperidin-4-ylethyl)piperidine;4-piperidin-4-ylpiperidine;4-(3-piperidin-4-ylpropyl)piperidine;N'-propan-2-ylpropane-1,3-diamine?

The IUPAC name of 4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine;[3-(aminomethyl)cyclohexyl]methanamine;4-[(4-amino-3-methylcyclohexyl)methyl]-2-methylcyclohexan-1-amine;3-(aminomethyl)-3,5,5-trimethylcyclohexan-1-amine;cyclohexane-1,2-diamine;cyclohexane-1,3-diamine;cyclohexane-1,4-diamine;N,N'-diethylpropane-1,3-diamine;N,N'-dimethylhexane-1,6-diamine;N,N'-dimethyl-N'-[6-(methylamino)hexyl]hexane-1,6-diamine;N,N'-dimethylpropane-1,3-diamine;piperidin-3-amine;4-(2-piperidin-4-ylethyl)piperidine;4-piperidin-4-ylpiperidine;4-(3-piperidin-4-ylpropyl)piperidine;N'-propan-2-ylpropane-1,3-diamine (CID 159828395) is 4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine;[3-(aminomethyl)cyclohexyl]methanamine;4-[(4-amino-3-methylcyclohexyl)methyl]-2-methylcyclohexan-1-amine;3-(aminomethyl)-3,5,5-trimethylcyclohexan-1-amine;cyclohexane-1,2-diamine;cyclohexane-1,3-diamine;cyclohexane-1,4-diamine;N,N'-diethylpropane-1,3-diamine;N,N'-dimethylhexane-1,6-diamine;N,N'-dimethyl-N'-[6-(methylamino)hexyl]hexane-1,6-diamine;N,N'-dimethylpropane-1,3-diamine;piperidin-3-amine;4-(2-piperidin-4-ylethyl)piperidine;4-piperidin-4-ylpiperidine;4-(3-piperidin-4-ylpropyl)piperidine;N'-propan-2-ylpropane-1,3-diamine.

What is the SMILES notation for 4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine;[3-(aminomethyl)cyclohexyl]methanamine;4-[(4-amino-3-methylcyclohexyl)methyl]-2-methylcyclohexan-1-amine;3-(aminomethyl)-3,5,5-trimethylcyclohexan-1-amine;cyclohexane-1,2-diamine;cyclohexane-1,3-diamine;cyclohexane-1,4-diamine;N,N'-diethylpropane-1,3-diamine;N,N'-dimethylhexane-1,6-diamine;N,N'-dimethyl-N'-[6-(methylamino)hexyl]hexane-1,6-diamine;N,N'-dimethylpropane-1,3-diamine;piperidin-3-amine;4-(2-piperidin-4-ylethyl)piperidine;4-piperidin-4-ylpiperidine;4-(3-piperidin-4-ylpropyl)piperidine;N'-propan-2-ylpropane-1,3-diamine?

The canonical SMILES for 4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine;[3-(aminomethyl)cyclohexyl]methanamine;4-[(4-amino-3-methylcyclohexyl)methyl]-2-methylcyclohexan-1-amine;3-(aminomethyl)-3,5,5-trimethylcyclohexan-1-amine;cyclohexane-1,2-diamine;cyclohexane-1,3-diamine;cyclohexane-1,4-diamine;N,N'-diethylpropane-1,3-diamine;N,N'-dimethylhexane-1,6-diamine;N,N'-dimethyl-N'-[6-(methylamino)hexyl]hexane-1,6-diamine;N,N'-dimethylpropane-1,3-diamine;piperidin-3-amine;4-(2-piperidin-4-ylethyl)piperidine;4-piperidin-4-ylpiperidine;4-(3-piperidin-4-ylpropyl)piperidine;N'-propan-2-ylpropane-1,3-diamine is C(CC1CCNCC1)CC1CCNCC1.C1CC(C2CCNCC2)CCN1.C1CC(CCC2CCNCC2)CCN1.CC(C)NCCCN.CC1(C)CC(N)CC(C)(CN)C1.CC1CC(CC2CCC(N)C(C)C2)CCC1N.CCNCCCNCC.CNCCCCCCN(C)CCCCCCNC.CNCCCCCCNC.CNCCCNC.NC1CCC(CC2CCC(N)CC2)CC1.NC1CCC(N)CC1.NC1CCCC(N)C1.NC1CCCCC1N.NC1CCCNC1.NCC1CCCC(CN)C1.

What is the InChIKey of 4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine;[3-(aminomethyl)cyclohexyl]methanamine;4-[(4-amino-3-methylcyclohexyl)methyl]-2-methylcyclohexan-1-amine;3-(aminomethyl)-3,5,5-trimethylcyclohexan-1-amine;cyclohexane-1,2-diamine;cyclohexane-1,3-diamine;cyclohexane-1,4-diamine;N,N'-diethylpropane-1,3-diamine;N,N'-dimethylhexane-1,6-diamine;N,N'-dimethyl-N'-[6-(methylamino)hexyl]hexane-1,6-diamine;N,N'-dimethylpropane-1,3-diamine;piperidin-3-amine;4-(2-piperidin-4-ylethyl)piperidine;4-piperidin-4-ylpiperidine;4-(3-piperidin-4-ylpropyl)piperidine;N'-propan-2-ylpropane-1,3-diamine?

The InChIKey is NNDJBATVDYBVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H35N3.C15H30N2.2C13H26N2.C12H24N2.C10H20N2.C10H22N2.C8H18N2.C8H20N2.C7H18N2.3C6H14N2.C6H16N2.C5H12N2.C5H14N2/c1-16-12-8-4-6-10-14-18(3)15-11-7-5-9-13-17-2;1-10-7-12(3-5-14(10)16)9-13-4-6-15(17)11(2)8-13;14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11;1(2-12-4-8-14-9-5-12)3-13-6-10-15-11-7-13;1(11-3-7-13-8-4-11)2-12-5-9-14-10-6-12;1-5-11-6-2-9(1)10-3-7-12-8-4-10;1-9(2)4-8(12)5-10(3,6-9)7-11;9-5-7-2-1-3-8(4-7)6-10;1-9-7-5-3-4-6-8-10-2;1-3-8-6-5-7-9-4-2;7-5-1-2-6(8)4-3-5;7-5-2-1-3-6(8)4-5;7-5-3-1-2-4-6(5)8;1-6(2)8-5-3-4-7;6-5-2-1-3-7-4-5;1-6-4-3-5-7-2/h16-17H,4-15H2,1-3H3;10-15H,3-9,16-17H2,1-2H3;10-13H,1-9,14-15H2;12-15H,1-11H2;11-14H,1-10H2;9-12H,1-8H2;8H,4-7,11-12H2,1-3H3;7-8H,1-6,9-10H2;9-10H,3-8H2,1-2H3;8-9H,3-7H2,1-2H3;3*5-6H,1-4,7-8H2;6,8H,3-5,7H2,1-2H3;5,7H,1-4,6H2;6-7H,3-5H2,1-2H3.

What are the key properties of 4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine;[3-(aminomethyl)cyclohexyl]methanamine;4-[(4-amino-3-methylcyclohexyl)methyl]-2-methylcyclohexan-1-amine;3-(aminomethyl)-3,5,5-trimethylcyclohexan-1-amine;cyclohexane-1,2-diamine;cyclohexane-1,3-diamine;cyclohexane-1,4-diamine;N,N'-diethylpropane-1,3-diamine;N,N'-dimethylhexane-1,6-diamine;N,N'-dimethyl-N'-[6-(methylamino)hexyl]hexane-1,6-diamine;N,N'-dimethylpropane-1,3-diamine;piperidin-3-amine;4-(2-piperidin-4-ylethyl)piperidine;4-piperidin-4-ylpiperidine;4-(3-piperidin-4-ylpropyl)piperidine;N'-propan-2-ylpropane-1,3-diamine?

4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine;[3-(aminomethyl)cyclohexyl]methanamine;4-[(4-amino-3-methylcyclohexyl)methyl]-2-methylcyclohexan-1-amine;3-(aminomethyl)-3,5,5-trimethylcyclohexan-1-amine;cyclohexane-1,2-diamine;cyclohexane-1,3-diamine;cyclohexane-1,4-diamine;N,N'-diethylpropane-1,3-diamine;N,N'-dimethylhexane-1,6-diamine;N,N'-dimethyl-N'-[6-(methylamino)hexyl]hexane-1,6-diamine;N,N'-dimethylpropane-1,3-diamine;piperidin-3-amine;4-(2-piperidin-4-ylethyl)piperidine;4-piperidin-4-ylpiperidine;4-(3-piperidin-4-ylpropyl)piperidine;N'-propan-2-ylpropane-1,3-diamine has a molecular weight of 2529.41 g/mol, XLogP of 16.97, 50 rotatable bonds, 32 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine;[3-(aminomethyl)cyclohexyl]methanamine;4-[(4-amino-3-methylcyclohexyl)methyl]-2-methylcyclohexan-1-amine;3-(aminomethyl)-3,5,5-trimethylcyclohexan-1-amine;cyclohexane-1,2-diamine;cyclohexane-1,3-diamine;cyclohexane-1,4-diamine;N,N'-diethylpropane-1,3-diamine;N,N'-dimethylhexane-1,6-diamine;N,N'-dimethyl-N'-[6-(methylamino)hexyl]hexane-1,6-diamine;N,N'-dimethylpropane-1,3-diamine;piperidin-3-amine;4-(2-piperidin-4-ylethyl)piperidine;4-piperidin-4-ylpiperidine;4-(3-piperidin-4-ylpropyl)piperidine;N'-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 159828395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).