4-[4-(4-ethenylcyclohexyl)cyclohexyl]-N-propylcyclohexan-1-amine

C23H41N — CID 126539402

IUPAC4-[4-(4-ethenylcyclohexyl)cyclohexyl]-N-propylcyclohexan-1-amine
SMILESC=CC1CCC(C2CCC(C3CCC(NCCC)CC3)CC2)CC1
InChIInChI=1S/C23H41N/c1-3-17-24-23-15-13-22(14-16-23)21-11-9-20(10-12-21)19-7-5-18(4-2)6-8-19/h4,18-24H,2-3,5-17H2,1H3
InChIKeyFAWLZIQKHHXAHP-UHFFFAOYSA-N
MW331.59 g/mol
LogP6.34
Rot. Bonds6

About 4-[4-(4-ethenylcyclohexyl)cyclohexyl]-N-propylcyclohexan-1-amine

4-[4-(4-ethenylcyclohexyl)cyclohexyl]-N-propylcyclohexan-1-amine (PubChem CID 126539402) has the molecular formula C23H41N and a molecular weight of 331.59 g/mol. Its IUPAC name is 4-[4-(4-ethenylcyclohexyl)cyclohexyl]-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name4-[4-(4-ethenylcyclohexyl)cyclohexyl]-N-propylcyclohexan-1-amine
PubChem CID126539402
Molecular FormulaC23H41N
Molecular Weight331.59 g/mol
Exact Mass331.32
IUPAC Name4-[4-(4-ethenylcyclohexyl)cyclohexyl]-N-propylcyclohexan-1-amine
SMILESC=CC1CCC(C2CCC(C3CCC(NCCC)CC3)CC2)CC1
InChIInChI=1S/C23H41N/c1-3-17-24-23-15-13-22(14-16-23)21-11-9-20(10-12-21)19-7-5-18(4-2)6-8-19/h4,18-24H,2-3,5-17H2,1H3
InChIKeyFAWLZIQKHHXAHP-UHFFFAOYSA-N
XLogP6.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.59
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-methylcyclohexan-1-amine
CID 163800957
4-(4-ethenylcyclohexyl)-2-[5-(4-ethenylcyclohexyl)-2-ethylcyclohexyl]-N-propylcyclohexan-1-amine
CID 163571985
1-ethenyl-4-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]cyclohexane
CID 144859072
azane;N-propylcyclohexanamine
CID 19368218
N-propylcyclohexanamine;hydrochloride
CID 17370003
1-N-cyclopropyl-3-N,3-N-bis(prop-2-enyl)butane-1,3-diamine
CID 62439541
4-N-cyclohexyl-1-N-propylcyclohexane-1,4-diamine
CID 82934190
4-N-cyclopropyl-4-N-methyl-1-N-propylcyclohexane-1,4-diamine
CID 114762819
N-propyloxan-4-amine
CID 18348908
1-ethenyl-4-[4-[4-(3-ethoxycyclopentyl)cyclohexyl]cyclohexyl]cyclohexane
CID 58555460
1-ethenyl-4-(3-ethoxycyclopentyl)cyclohexane
CID 58555888
1-ethenyl-4-[4-(1-ethoxyethyl)cyclohexyl]cyclohexane
CID 91361324

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-ethenylcyclohexyl)cyclohexyl]-N-propylcyclohexan-1-amine?
The IUPAC name of 4-[4-(4-ethenylcyclohexyl)cyclohexyl]-N-propylcyclohexan-1-amine (CID 126539402) is 4-[4-(4-ethenylcyclohexyl)cyclohexyl]-N-propylcyclohexan-1-amine.
What is the SMILES notation for 4-[4-(4-ethenylcyclohexyl)cyclohexyl]-N-propylcyclohexan-1-amine?
The canonical SMILES for 4-[4-(4-ethenylcyclohexyl)cyclohexyl]-N-propylcyclohexan-1-amine is C=CC1CCC(C2CCC(C3CCC(NCCC)CC3)CC2)CC1.
What is the InChIKey of 4-[4-(4-ethenylcyclohexyl)cyclohexyl]-N-propylcyclohexan-1-amine?
The InChIKey is FAWLZIQKHHXAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H41N/c1-3-17-24-23-15-13-22(14-16-23)21-11-9-20(10-12-21)19-7-5-18(4-2)6-8-19/h4,18-24H,2-3,5-17H2,1H3.
What are the key properties of 4-[4-(4-ethenylcyclohexyl)cyclohexyl]-N-propylcyclohexan-1-amine?
4-[4-(4-ethenylcyclohexyl)cyclohexyl]-N-propylcyclohexan-1-amine has a molecular weight of 331.59 g/mol, XLogP of 6.34, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-ethenylcyclohexyl)cyclohexyl]-N-propylcyclohexan-1-amine is sourced from PubChem (CID 126539402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).