4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine;N'-(2-aminoethyl)propane-1,3-diamine;N'-[2-(3-aminopropylamino)ethyl]propane-1,3-diamine;N'-[3-(3-aminopropylamino)propyl]propane-1,3-diamine;N'-(3-aminopropyl)butane-1,4-diamine;3-[4-(3-aminopropyl)piperazin-1-yl]propan-1-amine;N'-(3-aminopropyl)propane-1,3-diamine;N',N'-bis(2-aminoethyl)ethane-1,2-diamine;N,N'-bis(2-aminoethyl)propane-1,3-diamine;N,N'-bis(3-aminopropyl)butane-1,4-diamine;N,N'-bis(2-methylpropyl)hexane-1,6-diamine;1,5-diazacyclododecane;1,5-diazacyclopentadecane;N,N'-dibutylhexane-1,6-diamine;N,N'-di(propan-2-yl)ethane-1,2-diamine;3-(4-methylpiperazin-1-yl)propan-1-amine;pyrrolidin-3-amine;3-pyrrolidin-1-ylpropan-1-amine

C159H390N52 — CID 158390888

About 4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine;N'-(2-aminoethyl)propane-1,3-diamine;N'-[2-(3-aminopropylamino)ethyl]propane-1,3-diamine;N'-[3-(3-aminopropylamino)propyl]propane-1,3-diamine;N'-(3-aminopropyl)butane-1,4-diamine;3-[4-(3-aminopropyl)piperazin-1-yl]propan-1-amine;N'-(3-aminopropyl)propane-1,3-diamine;N',N'-bis(2-aminoethyl)ethane-1,2-diamine;N,N'-bis(2-aminoethyl)propane-1,3-diamine;N,N'-bis(3-aminopropyl)butane-1,4-diamine;N,N'-bis(2-methylpropyl)hexane-1,6-diamine;1,5-diazacyclododecane;1,5-diazacyclopentadecane;N,N'-dibutylhexane-1,6-diamine;N,N'-di(propan-2-yl)ethane-1,2-diamine;3-(4-methylpiperazin-1-yl)propan-1-amine;pyrrolidin-3-amine;3-pyrrolidin-1-ylpropan-1-amine

4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine;N'-(2-aminoethyl)propane-1,3-diamine;N'-[2-(3-aminopropylamino)ethyl]propane-1,3-diamine;N'-[3-(3-aminopropylamino)propyl]propane-1,3-diamine;N'-(3-aminopropyl)butane-1,4-diamine;3-[4-(3-aminopropyl)piperazin-1-yl]propan-1-amine;N'-(3-aminopropyl)propane-1,3-diamine;N',N'-bis(2-aminoethyl)ethane-1,2-diamine;N,N'-bis(2-aminoethyl)propane-1,3-diamine;N,N'-bis(3-aminopropyl)butane-1,4-diamine;N,N'-bis(2-methylpropyl)hexane-1,6-diamine;1,5-diazacyclododecane;1,5-diazacyclopentadecane;N,N'-dibutylhexane-1,6-diamine;N,N'-di(propan-2-yl)ethane-1,2-diamine;3-(4-methylpiperazin-1-yl)propan-1-amine;pyrrolidin-3-amine;3-pyrrolidin-1-ylpropan-1-amine (PubChem CID 158390888) has the molecular formula C159H390N52 and a molecular weight of 3031.23 g/mol. Its IUPAC name is 4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine;N'-(2-aminoethyl)propane-1,3-diamine;N'-[2-(3-aminopropylamino)ethyl]propane-1,3-diamine;N'-[3-(3-aminopropylamino)propyl]propane-1,3-diamine;N'-(3-aminopropyl)butane-1,4-diamine;3-[4-(3-aminopropyl)piperazin-1-yl]propan-1-amine;N'-(3-aminopropyl)propane-1,3-diamine;N',N'-bis(2-aminoethyl)ethane-1,2-diamine;N,N'-bis(2-aminoethyl)propane-1,3-diamine;N,N'-bis(3-aminopropyl)butane-1,4-diamine;N,N'-bis(2-methylpropyl)hexane-1,6-diamine;1,5-diazacyclododecane;1,5-diazacyclopentadecane;N,N'-dibutylhexane-1,6-diamine;N,N'-di(propan-2-yl)ethane-1,2-diamine;3-(4-methylpiperazin-1-yl)propan-1-amine;pyrrolidin-3-amine;3-pyrrolidin-1-ylpropan-1-amine.

Molecular Properties

• Compound Name: 4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine;N'-(2-aminoethyl)propane-1,3-diamine;N'-[2-(3-aminopropylamino)ethyl]propane-1,3-diamine;N'-[3-(3-aminopropylamino)propyl]propane-1,3-diamine;N'-(3-aminopropyl)butane-1,4-diamine;3-[4-(3-aminopropyl)piperazin-1-yl]propan-1-amine;N'-(3-aminopropyl)propane-1,3-diamine;N',N'-bis(2-aminoethyl)ethane-1,2-diamine;N,N'-bis(2-aminoethyl)propane-1,3-diamine;N,N'-bis(3-aminopropyl)butane-1,4-diamine;N,N'-bis(2-methylpropyl)hexane-1,6-diamine;1,5-diazacyclododecane;1,5-diazacyclopentadecane;N,N'-dibutylhexane-1,6-diamine;N,N'-di(propan-2-yl)ethane-1,2-diamine;3-(4-methylpiperazin-1-yl)propan-1-amine;pyrrolidin-3-amine;3-pyrrolidin-1-ylpropan-1-amine
• PubChem CID: 158390888
• Molecular Formula: C159H390N52
• Molecular Weight: 3031.23 g/mol
• Exact Mass: 3029.21
• IUPAC Name: 4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine;N'-(2-aminoethyl)propane-1,3-diamine;N'-[2-(3-aminopropylamino)ethyl]propane-1,3-diamine;N'-[3-(3-aminopropylamino)propyl]propane-1,3-diamine;N'-(3-aminopropyl)butane-1,4-diamine;3-[4-(3-aminopropyl)piperazin-1-yl]propan-1-amine;N'-(3-aminopropyl)propane-1,3-diamine;N',N'-bis(2-aminoethyl)ethane-1,2-diamine;N,N'-bis(2-aminoethyl)propane-1,3-diamine;N,N'-bis(3-aminopropyl)butane-1,4-diamine;N,N'-bis(2-methylpropyl)hexane-1,6-diamine;1,5-diazacyclododecane;1,5-diazacyclopentadecane;N,N'-dibutylhexane-1,6-diamine;N,N'-di(propan-2-yl)ethane-1,2-diamine;3-(4-methylpiperazin-1-yl)propan-1-amine;pyrrolidin-3-amine;3-pyrrolidin-1-ylpropan-1-amine
• SMILES: C1CCCCCNCCCNCCCC1.C1CCCNCCCNCCC1.CC(C)CNCCCCCCNCC(C)C.CC(C)NCCNC(C)C.CCCCNCCCCCCNCCCC.CN1CCN(CCCN)CC1.NC1CCC(CC2CCC(N)CC2)CC1.NC1CCNC1.NCCCCNCCCN.NCCCN1CCCC1.NCCCN1CCN(CCCN)CC1.NCCCNCCCCNCCCN.NCCCNCCCN.NCCCNCCCNCCCN.NCCCNCCN.NCCCNCCNCCCN.NCCN(CCN)CCN.NCCNCCCNCCN
• InChI: InChI=1S/2C14H32N2.C13H26N2.C13H28N2.C10H24N4.C10H26N4.C10H22N2.C9H24N4.C8H22N4.C8H19N3.C8H20N2.C7H20N4.C7H19N3.C7H16N2.C6H18N4.C6H17N3.C5H15N3.C4H10N2/c1-13(2)11-15-9-7-5-6-8-10-16-12-14(3)4;1-3-5-11-15-13-9-7-8-10-14-16-12-6-4-2;14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11;1-2-4-6-8-11-15-13-9-12-14-10-7-5-3-1;11-3-1-5-13-7-9-14(10-8-13)6-2-4-12;11-5-3-9-13-7-1-2-8-14-10-4-6-12;1-2-4-7-11-9-6-10-12-8-5-3-1;10-4-1-6-12-8-3-9-13-7-2-5-11;9-3-1-5-11-7-8-12-6-2-4-10;1-10-5-7-11(8-6-10)4-2-3-9;1-7(2)9-5-6-10-8(3)4;8-2-6-10-4-1-5-11-7-3-9;8-4-1-2-6-10-7-3-5-9;8-4-3-7-9-5-1-2-6-9;7-1-4-10(5-2-8)6-3-9;7-3-1-5-9-6-2-4-8;6-2-1-4-8-5-3-7;5-4-1-2-6-3-4/h13-16H,5-12H2,1-4H3;15-16H,3-14H2,1-2H3;10-13H,1-9,14-15H2;14-15H,1-13H2;1-12H2;13-14H,1-12H2;11-12H,1-10H2;12-13H,1-11H2;11-12H,1-10H2;2-9H2,1H3;7-10H,5-6H2,1-4H3;10-11H,1-9H2;10H,1-9H2;1-8H2;1-9H2;9H,1-8H2;8H,1-7H2;4,6H,1-3,5H2
• InChIKey: GWYIIRHLZWDDBR-UHFFFAOYSA-N
• XLogP: 4.81
• TPSA: 908.58 Ų
• H-Bond Donors: 46
• H-Bond Acceptors: 52
• Rotatable Bonds: 105
• Heavy Atoms: 211
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3031.23
LogP ≤ 5	4.81
H-Bond Donors ≤ 5	46
H-Bond Acceptors ≤ 10	52

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;N'-(2-aminoethyl)propane-1,3-diamine;N'-[2-(3-aminopropylamino)ethyl]propane-1,3-diamine;N'-[3-(3-aminopropylamino)propyl]propane-1,3-diamine;N'-(3-aminopropyl)butane-1,4-diamine;3-[4-(3-aminopropyl)piperazin-1-yl]propan-1-amine;N'-(3-aminopropyl)propane-1,3-diamine;N',N'-bis(2-aminoethyl)ethane-1,2-diamine;N,N'-bis(2-aminoethyl)propane-1,3-diamine;N,N'-bis(3-aminopropyl)butane-1,4-diamine;N,N'-bis(2-methylpropyl)hexane-1,6-diamine;1,5-diazacyclododecane;1,5-diazacyclopentadecane;N,N'-dibutylhexane-1,6-diamine;N,N'-di(propan-2-yl)ethane-1,2-diamine;3-(4-methylpiperazin-1-yl)propan-1-amine;pyrrolidin-3-amine;3-pyrrolidin-1-ylpropan-1-amine?

The IUPAC name of 4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine;N'-(2-aminoethyl)propane-1,3-diamine;N'-[2-(3-aminopropylamino)ethyl]propane-1,3-diamine;N'-[3-(3-aminopropylamino)propyl]propane-1,3-diamine;N'-(3-aminopropyl)butane-1,4-diamine;3-[4-(3-aminopropyl)piperazin-1-yl]propan-1-amine;N'-(3-aminopropyl)propane-1,3-diamine;N',N'-bis(2-aminoethyl)ethane-1,2-diamine;N,N'-bis(2-aminoethyl)propane-1,3-diamine;N,N'-bis(3-aminopropyl)butane-1,4-diamine;N,N'-bis(2-methylpropyl)hexane-1,6-diamine;1,5-diazacyclododecane;1,5-diazacyclopentadecane;N,N'-dibutylhexane-1,6-diamine;N,N'-di(propan-2-yl)ethane-1,2-diamine;3-(4-methylpiperazin-1-yl)propan-1-amine;pyrrolidin-3-amine;3-pyrrolidin-1-ylpropan-1-amine (CID 158390888) is 4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine;N'-(2-aminoethyl)propane-1,3-diamine;N'-[2-(3-aminopropylamino)ethyl]propane-1,3-diamine;N'-[3-(3-aminopropylamino)propyl]propane-1,3-diamine;N'-(3-aminopropyl)butane-1,4-diamine;3-[4-(3-aminopropyl)piperazin-1-yl]propan-1-amine;N'-(3-aminopropyl)propane-1,3-diamine;N',N'-bis(2-aminoethyl)ethane-1,2-diamine;N,N'-bis(2-aminoethyl)propane-1,3-diamine;N,N'-bis(3-aminopropyl)butane-1,4-diamine;N,N'-bis(2-methylpropyl)hexane-1,6-diamine;1,5-diazacyclododecane;1,5-diazacyclopentadecane;N,N'-dibutylhexane-1,6-diamine;N,N'-di(propan-2-yl)ethane-1,2-diamine;3-(4-methylpiperazin-1-yl)propan-1-amine;pyrrolidin-3-amine;3-pyrrolidin-1-ylpropan-1-amine.

What is the SMILES notation for 4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine;N'-(2-aminoethyl)propane-1,3-diamine;N'-[2-(3-aminopropylamino)ethyl]propane-1,3-diamine;N'-[3-(3-aminopropylamino)propyl]propane-1,3-diamine;N'-(3-aminopropyl)butane-1,4-diamine;3-[4-(3-aminopropyl)piperazin-1-yl]propan-1-amine;N'-(3-aminopropyl)propane-1,3-diamine;N',N'-bis(2-aminoethyl)ethane-1,2-diamine;N,N'-bis(2-aminoethyl)propane-1,3-diamine;N,N'-bis(3-aminopropyl)butane-1,4-diamine;N,N'-bis(2-methylpropyl)hexane-1,6-diamine;1,5-diazacyclododecane;1,5-diazacyclopentadecane;N,N'-dibutylhexane-1,6-diamine;N,N'-di(propan-2-yl)ethane-1,2-diamine;3-(4-methylpiperazin-1-yl)propan-1-amine;pyrrolidin-3-amine;3-pyrrolidin-1-ylpropan-1-amine?

The canonical SMILES for 4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine;N'-(2-aminoethyl)propane-1,3-diamine;N'-[2-(3-aminopropylamino)ethyl]propane-1,3-diamine;N'-[3-(3-aminopropylamino)propyl]propane-1,3-diamine;N'-(3-aminopropyl)butane-1,4-diamine;3-[4-(3-aminopropyl)piperazin-1-yl]propan-1-amine;N'-(3-aminopropyl)propane-1,3-diamine;N',N'-bis(2-aminoethyl)ethane-1,2-diamine;N,N'-bis(2-aminoethyl)propane-1,3-diamine;N,N'-bis(3-aminopropyl)butane-1,4-diamine;N,N'-bis(2-methylpropyl)hexane-1,6-diamine;1,5-diazacyclododecane;1,5-diazacyclopentadecane;N,N'-dibutylhexane-1,6-diamine;N,N'-di(propan-2-yl)ethane-1,2-diamine;3-(4-methylpiperazin-1-yl)propan-1-amine;pyrrolidin-3-amine;3-pyrrolidin-1-ylpropan-1-amine is C1CCCCCNCCCNCCCC1.C1CCCNCCCNCCC1.CC(C)CNCCCCCCNCC(C)C.CC(C)NCCNC(C)C.CCCCNCCCCCCNCCCC.CN1CCN(CCCN)CC1.NC1CCC(CC2CCC(N)CC2)CC1.NC1CCNC1.NCCCCNCCCN.NCCCN1CCCC1.NCCCN1CCN(CCCN)CC1.NCCCNCCCCNCCCN.NCCCNCCCN.NCCCNCCCNCCCN.NCCCNCCN.NCCCNCCNCCCN.NCCN(CCN)CCN.NCCNCCCNCCN.

What is the InChIKey of 4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine;N'-(2-aminoethyl)propane-1,3-diamine;N'-[2-(3-aminopropylamino)ethyl]propane-1,3-diamine;N'-[3-(3-aminopropylamino)propyl]propane-1,3-diamine;N'-(3-aminopropyl)butane-1,4-diamine;3-[4-(3-aminopropyl)piperazin-1-yl]propan-1-amine;N'-(3-aminopropyl)propane-1,3-diamine;N',N'-bis(2-aminoethyl)ethane-1,2-diamine;N,N'-bis(2-aminoethyl)propane-1,3-diamine;N,N'-bis(3-aminopropyl)butane-1,4-diamine;N,N'-bis(2-methylpropyl)hexane-1,6-diamine;1,5-diazacyclododecane;1,5-diazacyclopentadecane;N,N'-dibutylhexane-1,6-diamine;N,N'-di(propan-2-yl)ethane-1,2-diamine;3-(4-methylpiperazin-1-yl)propan-1-amine;pyrrolidin-3-amine;3-pyrrolidin-1-ylpropan-1-amine?

The InChIKey is GWYIIRHLZWDDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H32N2.C13H26N2.C13H28N2.C10H24N4.C10H26N4.C10H22N2.C9H24N4.C8H22N4.C8H19N3.C8H20N2.C7H20N4.C7H19N3.C7H16N2.C6H18N4.C6H17N3.C5H15N3.C4H10N2/c1-13(2)11-15-9-7-5-6-8-10-16-12-14(3)4;1-3-5-11-15-13-9-7-8-10-14-16-12-6-4-2;14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11;1-2-4-6-8-11-15-13-9-12-14-10-7-5-3-1;11-3-1-5-13-7-9-14(10-8-13)6-2-4-12;11-5-3-9-13-7-1-2-8-14-10-4-6-12;1-2-4-7-11-9-6-10-12-8-5-3-1;10-4-1-6-12-8-3-9-13-7-2-5-11;9-3-1-5-11-7-8-12-6-2-4-10;1-10-5-7-11(8-6-10)4-2-3-9;1-7(2)9-5-6-10-8(3)4;8-2-6-10-4-1-5-11-7-3-9;8-4-1-2-6-10-7-3-5-9;8-4-3-7-9-5-1-2-6-9;7-1-4-10(5-2-8)6-3-9;7-3-1-5-9-6-2-4-8;6-2-1-4-8-5-3-7;5-4-1-2-6-3-4/h13-16H,5-12H2,1-4H3;15-16H,3-14H2,1-2H3;10-13H,1-9,14-15H2;14-15H,1-13H2;1-12H2;13-14H,1-12H2;11-12H,1-10H2;12-13H,1-11H2;11-12H,1-10H2;2-9H2,1H3;7-10H,5-6H2,1-4H3;10-11H,1-9H2;10H,1-9H2;1-8H2;1-9H2;9H,1-8H2;8H,1-7H2;4,6H,1-3,5H2.

What are the key properties of 4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine;N'-(2-aminoethyl)propane-1,3-diamine;N'-[2-(3-aminopropylamino)ethyl]propane-1,3-diamine;N'-[3-(3-aminopropylamino)propyl]propane-1,3-diamine;N'-(3-aminopropyl)butane-1,4-diamine;3-[4-(3-aminopropyl)piperazin-1-yl]propan-1-amine;N'-(3-aminopropyl)propane-1,3-diamine;N',N'-bis(2-aminoethyl)ethane-1,2-diamine;N,N'-bis(2-aminoethyl)propane-1,3-diamine;N,N'-bis(3-aminopropyl)butane-1,4-diamine;N,N'-bis(2-methylpropyl)hexane-1,6-diamine;1,5-diazacyclododecane;1,5-diazacyclopentadecane;N,N'-dibutylhexane-1,6-diamine;N,N'-di(propan-2-yl)ethane-1,2-diamine;3-(4-methylpiperazin-1-yl)propan-1-amine;pyrrolidin-3-amine;3-pyrrolidin-1-ylpropan-1-amine?

4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine;N'-(2-aminoethyl)propane-1,3-diamine;N'-[2-(3-aminopropylamino)ethyl]propane-1,3-diamine;N'-[3-(3-aminopropylamino)propyl]propane-1,3-diamine;N'-(3-aminopropyl)butane-1,4-diamine;3-[4-(3-aminopropyl)piperazin-1-yl]propan-1-amine;N'-(3-aminopropyl)propane-1,3-diamine;N',N'-bis(2-aminoethyl)ethane-1,2-diamine;N,N'-bis(2-aminoethyl)propane-1,3-diamine;N,N'-bis(3-aminopropyl)butane-1,4-diamine;N,N'-bis(2-methylpropyl)hexane-1,6-diamine;1,5-diazacyclododecane;1,5-diazacyclopentadecane;N,N'-dibutylhexane-1,6-diamine;N,N'-di(propan-2-yl)ethane-1,2-diamine;3-(4-methylpiperazin-1-yl)propan-1-amine;pyrrolidin-3-amine;3-pyrrolidin-1-ylpropan-1-amine has a molecular weight of 3031.23 g/mol, XLogP of 4.81, 105 rotatable bonds, 46 hydrogen bond donors, and 52 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine;N'-(2-aminoethyl)propane-1,3-diamine;N'-[2-(3-aminopropylamino)ethyl]propane-1,3-diamine;N'-[3-(3-aminopropylamino)propyl]propane-1,3-diamine;N'-(3-aminopropyl)butane-1,4-diamine;3-[4-(3-aminopropyl)piperazin-1-yl]propan-1-amine;N'-(3-aminopropyl)propane-1,3-diamine;N',N'-bis(2-aminoethyl)ethane-1,2-diamine;N,N'-bis(2-aminoethyl)propane-1,3-diamine;N,N'-bis(3-aminopropyl)butane-1,4-diamine;N,N'-bis(2-methylpropyl)hexane-1,6-diamine;1,5-diazacyclododecane;1,5-diazacyclopentadecane;N,N'-dibutylhexane-1,6-diamine;N,N'-di(propan-2-yl)ethane-1,2-diamine;3-(4-methylpiperazin-1-yl)propan-1-amine;pyrrolidin-3-amine;3-pyrrolidin-1-ylpropan-1-amine is sourced from PubChem (CID 158390888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).