N-(4-cyclohex-3-en-1-ylcyclohexyl)-4-(4-methylcyclohexyl)cyclohexan-1-amine

C25H43N — CID 71206227

IUPACN-(4-cyclohex-3-en-1-ylcyclohexyl)-4-(4-methylcyclohexyl)cyclohexan-1-amine
SMILESCC1CCC(C2CCC(NC3CCC(C4CC=CCC4)CC3)CC2)CC1
InChIInChI=1S/C25H43N/c1-19-7-9-21(10-8-19)23-13-17-25(18-14-23)26-24-15-11-22(12-16-24)20-5-3-2-4-6-20/h2-3,19-26H,4-18H2,1H3
InChIKeyUFFGEHYUBWZLRD-UHFFFAOYSA-N
MW357.63 g/mol
LogP6.88
Rot. Bonds4

About N-(4-cyclohex-3-en-1-ylcyclohexyl)-4-(4-methylcyclohexyl)cyclohexan-1-amine

N-(4-cyclohex-3-en-1-ylcyclohexyl)-4-(4-methylcyclohexyl)cyclohexan-1-amine (PubChem CID 71206227) has the molecular formula C25H43N and a molecular weight of 357.63 g/mol. Its IUPAC name is N-(4-cyclohex-3-en-1-ylcyclohexyl)-4-(4-methylcyclohexyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-(4-cyclohex-3-en-1-ylcyclohexyl)-4-(4-methylcyclohexyl)cyclohexan-1-amine
PubChem CID71206227
Molecular FormulaC25H43N
Molecular Weight357.63 g/mol
Exact Mass357.34
IUPAC NameN-(4-cyclohex-3-en-1-ylcyclohexyl)-4-(4-methylcyclohexyl)cyclohexan-1-amine
SMILESCC1CCC(C2CCC(NC3CCC(C4CC=CCC4)CC3)CC2)CC1
InChIInChI=1S/C25H43N/c1-19-7-9-21(10-8-19)23-13-17-25(18-14-23)26-24-15-11-22(12-16-24)20-5-3-2-4-6-20/h2-3,19-26H,4-18H2,1H3
InChIKeyUFFGEHYUBWZLRD-UHFFFAOYSA-N
XLogP6.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.63
LogP ≤ 56.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 N-(4-cyclohex-3-en-1-ylcyclohexyl)-4-(4-methylcyclohexyl)cyclohexan-1-amine?
The IUPAC name of N-(4-cyclohex-3-en-1-ylcyclohexyl)-4-(4-methylcyclohexyl)cyclohexan-1-amine (CID 71206227) is N-(4-cyclohex-3-en-1-ylcyclohexyl)-4-(4-methylcyclohexyl)cyclohexan-1-amine.
What is the SMILES notation for N-(4-cyclohex-3-en-1-ylcyclohexyl)-4-(4-methylcyclohexyl)cyclohexan-1-amine?
The canonical SMILES for N-(4-cyclohex-3-en-1-ylcyclohexyl)-4-(4-methylcyclohexyl)cyclohexan-1-amine is CC1CCC(C2CCC(NC3CCC(C4CC=CCC4)CC3)CC2)CC1.
What is the InChIKey of N-(4-cyclohex-3-en-1-ylcyclohexyl)-4-(4-methylcyclohexyl)cyclohexan-1-amine?
The InChIKey is UFFGEHYUBWZLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H43N/c1-19-7-9-21(10-8-19)23-13-17-25(18-14-23)26-24-15-11-22(12-16-24)20-5-3-2-4-6-20/h2-3,19-26H,4-18H2,1H3.
What are the key properties of N-(4-cyclohex-3-en-1-ylcyclohexyl)-4-(4-methylcyclohexyl)cyclohexan-1-amine?
N-(4-cyclohex-3-en-1-ylcyclohexyl)-4-(4-methylcyclohexyl)cyclohexan-1-amine has a molecular weight of 357.63 g/mol, XLogP of 6.88, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclohex-3-en-1-ylcyclohexyl)-4-(4-methylcyclohexyl)cyclohexan-1-amine is sourced from PubChem (CID 71206227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).