3-[2-(3-aminopropyl)-4-[3-(methylamino)propyl]cyclohexyl]propan-1-amine

C16H35N3 — CID 144740854

IUPAC3-[2-(3-aminopropyl)-4-[3-(methylamino)propyl]cyclohexyl]propan-1-amine
SMILESCNCCCC1CCC(CCCN)C(CCCN)C1
InChIInChI=1S/C16H35N3/c1-19-12-4-5-14-8-9-15(6-2-10-17)16(13-14)7-3-11-18/h14-16,19H,2-13,17-18H2,1H3
InChIKeyCLFOPNHFQZEOQK-UHFFFAOYSA-N
MW269.48 g/mol
LogP2.50
Rot. Bonds10

About 3-[2-(3-aminopropyl)-4-[3-(methylamino)propyl]cyclohexyl]propan-1-amine

3-[2-(3-aminopropyl)-4-[3-(methylamino)propyl]cyclohexyl]propan-1-amine (PubChem CID 144740854) has the molecular formula C16H35N3 and a molecular weight of 269.48 g/mol. Its IUPAC name is 3-[2-(3-aminopropyl)-4-[3-(methylamino)propyl]cyclohexyl]propan-1-amine.

Molecular Properties

Compound Name3-[2-(3-aminopropyl)-4-[3-(methylamino)propyl]cyclohexyl]propan-1-amine
PubChem CID144740854
Molecular FormulaC16H35N3
Molecular Weight269.48 g/mol
Exact Mass269.28
IUPAC Name3-[2-(3-aminopropyl)-4-[3-(methylamino)propyl]cyclohexyl]propan-1-amine
SMILESCNCCCC1CCC(CCCN)C(CCCN)C1
InChIInChI=1S/C16H35N3/c1-19-12-4-5-14-8-9-15(6-2-10-17)16(13-14)7-3-11-18/h14-16,19H,2-13,17-18H2,1H3
InChIKeyCLFOPNHFQZEOQK-UHFFFAOYSA-N
XLogP2.50
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.48
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3,4-bis(2-aminoethyl)cyclohexyl]ethanamine
CID 54261577
4-(3-aminopropyl)cyclohexan-1-amine
CID 22292235
3-cyclohexyl-N-methylpropan-1-amine
CID 3028091
N-methyl-3-(3-methylcyclobutyl)propan-1-amine
CID 119055096
3-cyclopentyl-N-methylpropan-1-amine;hydrochloride
CID 75530738
1-(2-hexyl-4-propylcyclohexyl)-N-methylmethanamine
CID 81029078
3-(3-ethylcyclobutyl)-N-methylpropan-1-amine
CID 169125304
2-[3-(aminomethyl)cyclohexyl]-N-methylethanamine
CID 142152689
3-[2-(3-aminopropyl)cyclohexyl]propan-1-amine
CID 67095749
(4-ethyl-2-octylcyclohexyl)methanamine
CID 81012449
N'-[[4-(aminomethyl)cyclohexyl]methyl]-N-methylpropane-1,3-diamine
CID 143996917
N-methyl-5-(4-methylcyclohexyl)pentan-1-amine
CID 91473840

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-aminopropyl)-4-[3-(methylamino)propyl]cyclohexyl]propan-1-amine?
The IUPAC name of 3-[2-(3-aminopropyl)-4-[3-(methylamino)propyl]cyclohexyl]propan-1-amine (CID 144740854) is 3-[2-(3-aminopropyl)-4-[3-(methylamino)propyl]cyclohexyl]propan-1-amine.
What is the SMILES notation for 3-[2-(3-aminopropyl)-4-[3-(methylamino)propyl]cyclohexyl]propan-1-amine?
The canonical SMILES for 3-[2-(3-aminopropyl)-4-[3-(methylamino)propyl]cyclohexyl]propan-1-amine is CNCCCC1CCC(CCCN)C(CCCN)C1.
What is the InChIKey of 3-[2-(3-aminopropyl)-4-[3-(methylamino)propyl]cyclohexyl]propan-1-amine?
The InChIKey is CLFOPNHFQZEOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3/c1-19-12-4-5-14-8-9-15(6-2-10-17)16(13-14)7-3-11-18/h14-16,19H,2-13,17-18H2,1H3.
What are the key properties of 3-[2-(3-aminopropyl)-4-[3-(methylamino)propyl]cyclohexyl]propan-1-amine?
3-[2-(3-aminopropyl)-4-[3-(methylamino)propyl]cyclohexyl]propan-1-amine has a molecular weight of 269.48 g/mol, XLogP of 2.50, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-aminopropyl)-4-[3-(methylamino)propyl]cyclohexyl]propan-1-amine is sourced from PubChem (CID 144740854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).