[4-(4-prop-1-enylcyclohexyl)cyclohexyl]methanimine

C16H27N — CID 91260339

IUPAC[4-(4-prop-1-enylcyclohexyl)cyclohexyl]methanimine
SMILES[H]/N=C/C1CCC(C2CCC(C=CC)CC2)CC1
InChIInChI=1S/C16H27N/c1-2-3-13-4-8-15(9-5-13)16-10-6-14(12-17)7-11-16/h2-3,12-17H,4-11H2,1H3/b3-2?,17-12+
InChIKeyHZKRDMISQCEMGM-PNHIUPLZSA-N
MW233.40 g/mol
LogP4.82
Rot. Bonds3

About [4-(4-prop-1-enylcyclohexyl)cyclohexyl]methanimine

[4-(4-prop-1-enylcyclohexyl)cyclohexyl]methanimine (PubChem CID 91260339) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is [4-(4-prop-1-enylcyclohexyl)cyclohexyl]methanimine.

Molecular Properties

Compound Name[4-(4-prop-1-enylcyclohexyl)cyclohexyl]methanimine
PubChem CID91260339
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name[4-(4-prop-1-enylcyclohexyl)cyclohexyl]methanimine
SMILES[H]/N=C/C1CCC(C2CCC(C=CC)CC2)CC1
InChIInChI=1S/C16H27N/c1-2-3-13-4-8-15(9-5-13)16-10-6-14(12-17)7-11-16/h2-3,12-17H,4-11H2,1H3/b3-2?,17-12+
InChIKeyHZKRDMISQCEMGM-PNHIUPLZSA-N
XLogP4.82
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(4-prop-1-enylcyclohexyl)cyclohexyl]methanimine?
The IUPAC name of [4-(4-prop-1-enylcyclohexyl)cyclohexyl]methanimine (CID 91260339) is [4-(4-prop-1-enylcyclohexyl)cyclohexyl]methanimine.
What is the SMILES notation for [4-(4-prop-1-enylcyclohexyl)cyclohexyl]methanimine?
The canonical SMILES for [4-(4-prop-1-enylcyclohexyl)cyclohexyl]methanimine is [H]/N=C/C1CCC(C2CCC(C=CC)CC2)CC1.
What is the InChIKey of [4-(4-prop-1-enylcyclohexyl)cyclohexyl]methanimine?
The InChIKey is HZKRDMISQCEMGM-PNHIUPLZSA-N. The full InChI is InChI=1S/C16H27N/c1-2-3-13-4-8-15(9-5-13)16-10-6-14(12-17)7-11-16/h2-3,12-17H,4-11H2,1H3/b3-2?,17-12+.
What are the key properties of [4-(4-prop-1-enylcyclohexyl)cyclohexyl]methanimine?
[4-(4-prop-1-enylcyclohexyl)cyclohexyl]methanimine has a molecular weight of 233.40 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-prop-1-enylcyclohexyl)cyclohexyl]methanimine is sourced from PubChem (CID 91260339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).