4-[[4-[[(5E)-6,10-dimethylundeca-5,9-dien-2-yl]amino]-2-methylcyclohexyl]methyl]-3-methylcyclohexan-1-amine

C28H52N2 — CID 6483670

IUPAC4-[[4-[[(5E)-6,10-dimethylundeca-5,9-dien-2-yl]amino]-2-methylcyclohexyl]methyl]-3-methylcyclohexan-1-amine
SMILESCC(C)=CCC/C(C)=C/CCC(C)NC1CCC(CC2CCC(N)CC2C)C(C)C1
InChIInChI=1S/C28H52N2/c1-20(2)9-7-10-21(3)11-8-12-24(6)30-28-16-14-26(23(5)18-28)19-25-13-15-27(29)17-22(25)4/h9,11,22-28,30H,7-8,10,12-19,29H2,1-6H3/b21-11+
InChIKeyCKUZOHCIXBJGFH-SRZZPIQSSA-N
MW416.74 g/mol
LogP7.40
Rot. Bonds10

About 4-[[4-[[(5E)-6,10-dimethylundeca-5,9-dien-2-yl]amino]-2-methylcyclohexyl]methyl]-3-methylcyclohexan-1-amine

4-[[4-[[(5E)-6,10-dimethylundeca-5,9-dien-2-yl]amino]-2-methylcyclohexyl]methyl]-3-methylcyclohexan-1-amine (PubChem CID 6483670) has the molecular formula C28H52N2 and a molecular weight of 416.74 g/mol. Its IUPAC name is 4-[[4-[[(5E)-6,10-dimethylundeca-5,9-dien-2-yl]amino]-2-methylcyclohexyl]methyl]-3-methylcyclohexan-1-amine.

Molecular Properties

Compound Name4-[[4-[[(5E)-6,10-dimethylundeca-5,9-dien-2-yl]amino]-2-methylcyclohexyl]methyl]-3-methylcyclohexan-1-amine
PubChem CID6483670
Molecular FormulaC28H52N2
Molecular Weight416.74 g/mol
Exact Mass416.41
IUPAC Name4-[[4-[[(5E)-6,10-dimethylundeca-5,9-dien-2-yl]amino]-2-methylcyclohexyl]methyl]-3-methylcyclohexan-1-amine
SMILESCC(C)=CCC/C(C)=C/CCC(C)NC1CCC(CC2CCC(N)CC2C)C(C)C1
InChIInChI=1S/C28H52N2/c1-20(2)9-7-10-21(3)11-8-12-24(6)30-28-16-14-26(23(5)18-28)19-25-13-15-27(29)17-22(25)4/h9,11,22-28,30H,7-8,10,12-19,29H2,1-6H3/b21-11+
InChIKeyCKUZOHCIXBJGFH-SRZZPIQSSA-N
XLogP7.40
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.74
LogP ≤ 57.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[[(5E)-6,10-dimethylundeca-5,9-dien-2-yl]amino]-2-methylcyclohexyl]methyl]-3-methylcyclohexan-1-amine?
The IUPAC name of 4-[[4-[[(5E)-6,10-dimethylundeca-5,9-dien-2-yl]amino]-2-methylcyclohexyl]methyl]-3-methylcyclohexan-1-amine (CID 6483670) is 4-[[4-[[(5E)-6,10-dimethylundeca-5,9-dien-2-yl]amino]-2-methylcyclohexyl]methyl]-3-methylcyclohexan-1-amine.
What is the SMILES notation for 4-[[4-[[(5E)-6,10-dimethylundeca-5,9-dien-2-yl]amino]-2-methylcyclohexyl]methyl]-3-methylcyclohexan-1-amine?
The canonical SMILES for 4-[[4-[[(5E)-6,10-dimethylundeca-5,9-dien-2-yl]amino]-2-methylcyclohexyl]methyl]-3-methylcyclohexan-1-amine is CC(C)=CCC/C(C)=C/CCC(C)NC1CCC(CC2CCC(N)CC2C)C(C)C1.
What is the InChIKey of 4-[[4-[[(5E)-6,10-dimethylundeca-5,9-dien-2-yl]amino]-2-methylcyclohexyl]methyl]-3-methylcyclohexan-1-amine?
The InChIKey is CKUZOHCIXBJGFH-SRZZPIQSSA-N. The full InChI is InChI=1S/C28H52N2/c1-20(2)9-7-10-21(3)11-8-12-24(6)30-28-16-14-26(23(5)18-28)19-25-13-15-27(29)17-22(25)4/h9,11,22-28,30H,7-8,10,12-19,29H2,1-6H3/b21-11+.
What are the key properties of 4-[[4-[[(5E)-6,10-dimethylundeca-5,9-dien-2-yl]amino]-2-methylcyclohexyl]methyl]-3-methylcyclohexan-1-amine?
4-[[4-[[(5E)-6,10-dimethylundeca-5,9-dien-2-yl]amino]-2-methylcyclohexyl]methyl]-3-methylcyclohexan-1-amine has a molecular weight of 416.74 g/mol, XLogP of 7.40, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[[(5E)-6,10-dimethylundeca-5,9-dien-2-yl]amino]-2-methylcyclohexyl]methyl]-3-methylcyclohexan-1-amine is sourced from PubChem (CID 6483670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).