1-[(1S)-4-(4,4-dimethylcyclohexyl)cyclohex-2-en-1-yl]-N-ethylethanimine

C18H31N — CID 137475016

IUPAC1-[(1S)-4-(4,4-dimethylcyclohexyl)cyclohex-2-en-1-yl]-N-ethylethanimine
SMILESCC/N=C(\C)[C@@H]1C=CC(C2CCC(C)(C)CC2)CC1
InChIInChI=1S/C18H31N/c1-5-19-14(2)15-6-8-16(9-7-15)17-10-12-18(3,4)13-11-17/h6,8,15-17H,5,7,9-13H2,1-4H3/b19-14+/t15-,16?/m1/s1
InChIKeyJSYSDRVCMDDNQK-UBIDPJRXSA-N
MW261.45 g/mol
LogP5.27
Rot. Bonds3

About 1-[(1S)-4-(4,4-dimethylcyclohexyl)cyclohex-2-en-1-yl]-N-ethylethanimine

1-[(1S)-4-(4,4-dimethylcyclohexyl)cyclohex-2-en-1-yl]-N-ethylethanimine (PubChem CID 137475016) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is 1-[(1S)-4-(4,4-dimethylcyclohexyl)cyclohex-2-en-1-yl]-N-ethylethanimine.

Molecular Properties

Compound Name1-[(1S)-4-(4,4-dimethylcyclohexyl)cyclohex-2-en-1-yl]-N-ethylethanimine
PubChem CID137475016
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC Name1-[(1S)-4-(4,4-dimethylcyclohexyl)cyclohex-2-en-1-yl]-N-ethylethanimine
SMILESCC/N=C(\C)[C@@H]1C=CC(C2CCC(C)(C)CC2)CC1
InChIInChI=1S/C18H31N/c1-5-19-14(2)15-6-8-16(9-7-15)17-10-12-18(3,4)13-11-17/h6,8,15-17H,5,7,9-13H2,1-4H3/b19-14+/t15-,16?/m1/s1
InChIKeyJSYSDRVCMDDNQK-UBIDPJRXSA-N
XLogP5.27
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.45
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[(1S)-4-(4,4-dimethylcyclohexyl)cyclohex-2-en-1-yl]-N-ethylethanimine 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 1-[(1S)-4-(4,4-dimethylcyclohexyl)cyclohex-2-en-1-yl]-N-ethylethanimine?
The IUPAC name of 1-[(1S)-4-(4,4-dimethylcyclohexyl)cyclohex-2-en-1-yl]-N-ethylethanimine (CID 137475016) is 1-[(1S)-4-(4,4-dimethylcyclohexyl)cyclohex-2-en-1-yl]-N-ethylethanimine.
What is the SMILES notation for 1-[(1S)-4-(4,4-dimethylcyclohexyl)cyclohex-2-en-1-yl]-N-ethylethanimine?
The canonical SMILES for 1-[(1S)-4-(4,4-dimethylcyclohexyl)cyclohex-2-en-1-yl]-N-ethylethanimine is CC/N=C(\C)[C@@H]1C=CC(C2CCC(C)(C)CC2)CC1.
What is the InChIKey of 1-[(1S)-4-(4,4-dimethylcyclohexyl)cyclohex-2-en-1-yl]-N-ethylethanimine?
The InChIKey is JSYSDRVCMDDNQK-UBIDPJRXSA-N. The full InChI is InChI=1S/C18H31N/c1-5-19-14(2)15-6-8-16(9-7-15)17-10-12-18(3,4)13-11-17/h6,8,15-17H,5,7,9-13H2,1-4H3/b19-14+/t15-,16?/m1/s1.
What are the key properties of 1-[(1S)-4-(4,4-dimethylcyclohexyl)cyclohex-2-en-1-yl]-N-ethylethanimine?
1-[(1S)-4-(4,4-dimethylcyclohexyl)cyclohex-2-en-1-yl]-N-ethylethanimine has a molecular weight of 261.45 g/mol, XLogP of 5.27, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-4-(4,4-dimethylcyclohexyl)cyclohex-2-en-1-yl]-N-ethylethanimine is sourced from PubChem (CID 137475016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).