4-[[4-[[(3S)-3,7-dimethyloct-6-enyl]amino]-3-methylcyclohexyl]methyl]-2-methylcyclohexan-1-amine

C25H48N2 — CID 6480559

IUPAC4-[[4-[[(3S)-3,7-dimethyloct-6-enyl]amino]-3-methylcyclohexyl]methyl]-2-methylcyclohexan-1-amine
SMILESCC(C)=CCC[C@H](C)CCNC1CCC(CC2CCC(N)C(C)C2)CC1C
InChIInChI=1S/C25H48N2/c1-18(2)7-6-8-19(3)13-14-27-25-12-10-23(16-21(25)5)17-22-9-11-24(26)20(4)15-22/h7,19-25,27H,6,8-17,26H2,1-5H3/t19-,20?,21?,22?,23?,24?,25?/m0/s1
InChIKeyBRMNRAQXVWPXAV-JQDMBAISSA-N
MW376.67 g/mol
LogP6.31
Rot. Bonds9

About 4-[[4-[[(3S)-3,7-dimethyloct-6-enyl]amino]-3-methylcyclohexyl]methyl]-2-methylcyclohexan-1-amine

4-[[4-[[(3S)-3,7-dimethyloct-6-enyl]amino]-3-methylcyclohexyl]methyl]-2-methylcyclohexan-1-amine (PubChem CID 6480559) has the molecular formula C25H48N2 and a molecular weight of 376.67 g/mol. Its IUPAC name is 4-[[4-[[(3S)-3,7-dimethyloct-6-enyl]amino]-3-methylcyclohexyl]methyl]-2-methylcyclohexan-1-amine.

Molecular Properties

Compound Name4-[[4-[[(3S)-3,7-dimethyloct-6-enyl]amino]-3-methylcyclohexyl]methyl]-2-methylcyclohexan-1-amine
PubChem CID6480559
Molecular FormulaC25H48N2
Molecular Weight376.67 g/mol
Exact Mass376.38
IUPAC Name4-[[4-[[(3S)-3,7-dimethyloct-6-enyl]amino]-3-methylcyclohexyl]methyl]-2-methylcyclohexan-1-amine
SMILESCC(C)=CCC[C@H](C)CCNC1CCC(CC2CCC(N)C(C)C2)CC1C
InChIInChI=1S/C25H48N2/c1-18(2)7-6-8-19(3)13-14-27-25-12-10-23(16-21(25)5)17-22-9-11-24(26)20(4)15-22/h7,19-25,27H,6,8-17,26H2,1-5H3/t19-,20?,21?,22?,23?,24?,25?/m0/s1
InChIKeyBRMNRAQXVWPXAV-JQDMBAISSA-N
XLogP6.31
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.67
LogP ≤ 56.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[[4-[[(3S)-3,7-dimethyloct-6-enyl]amino]-3-methylcyclohexyl]methyl]-2-methylcyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[[(3S)-3,7-dimethyloct-6-enyl]amino]-3-methylcyclohexyl]methyl]-2-methylcyclohexan-1-amine?
The IUPAC name of 4-[[4-[[(3S)-3,7-dimethyloct-6-enyl]amino]-3-methylcyclohexyl]methyl]-2-methylcyclohexan-1-amine (CID 6480559) is 4-[[4-[[(3S)-3,7-dimethyloct-6-enyl]amino]-3-methylcyclohexyl]methyl]-2-methylcyclohexan-1-amine.
What is the SMILES notation for 4-[[4-[[(3S)-3,7-dimethyloct-6-enyl]amino]-3-methylcyclohexyl]methyl]-2-methylcyclohexan-1-amine?
The canonical SMILES for 4-[[4-[[(3S)-3,7-dimethyloct-6-enyl]amino]-3-methylcyclohexyl]methyl]-2-methylcyclohexan-1-amine is CC(C)=CCC[C@H](C)CCNC1CCC(CC2CCC(N)C(C)C2)CC1C.
What is the InChIKey of 4-[[4-[[(3S)-3,7-dimethyloct-6-enyl]amino]-3-methylcyclohexyl]methyl]-2-methylcyclohexan-1-amine?
The InChIKey is BRMNRAQXVWPXAV-JQDMBAISSA-N. The full InChI is InChI=1S/C25H48N2/c1-18(2)7-6-8-19(3)13-14-27-25-12-10-23(16-21(25)5)17-22-9-11-24(26)20(4)15-22/h7,19-25,27H,6,8-17,26H2,1-5H3/t19-,20?,21?,22?,23?,24?,25?/m0/s1.
What are the key properties of 4-[[4-[[(3S)-3,7-dimethyloct-6-enyl]amino]-3-methylcyclohexyl]methyl]-2-methylcyclohexan-1-amine?
4-[[4-[[(3S)-3,7-dimethyloct-6-enyl]amino]-3-methylcyclohexyl]methyl]-2-methylcyclohexan-1-amine has a molecular weight of 376.67 g/mol, XLogP of 6.31, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[[(3S)-3,7-dimethyloct-6-enyl]amino]-3-methylcyclohexyl]methyl]-2-methylcyclohexan-1-amine is sourced from PubChem (CID 6480559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).