[1-(aminomethyl)-4-methylcyclohexyl]-cyclohex-3-en-1-ylmethanol

C15H27NO — CID 79137537

IUPAC[1-(aminomethyl)-4-methylcyclohexyl]-cyclohex-3-en-1-ylmethanol
SMILESCC1CCC(CN)(C(O)C2CC=CCC2)CC1
InChIInChI=1S/C15H27NO/c1-12-7-9-15(11-16,10-8-12)14(17)13-5-3-2-4-6-13/h2-3,12-14,17H,4-11,16H2,1H3
InChIKeyCIYALKWPZFJRGJ-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.86
Rot. Bonds3

About [1-(aminomethyl)-4-methylcyclohexyl]-cyclohex-3-en-1-ylmethanol

[1-(aminomethyl)-4-methylcyclohexyl]-cyclohex-3-en-1-ylmethanol (PubChem CID 79137537) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is [1-(aminomethyl)-4-methylcyclohexyl]-cyclohex-3-en-1-ylmethanol.

Molecular Properties

Compound Name[1-(aminomethyl)-4-methylcyclohexyl]-cyclohex-3-en-1-ylmethanol
PubChem CID79137537
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name[1-(aminomethyl)-4-methylcyclohexyl]-cyclohex-3-en-1-ylmethanol
SMILESCC1CCC(CN)(C(O)C2CC=CCC2)CC1
InChIInChI=1S/C15H27NO/c1-12-7-9-15(11-16,10-8-12)14(17)13-5-3-2-4-6-13/h2-3,12-14,17H,4-11,16H2,1H3
InChIKeyCIYALKWPZFJRGJ-UHFFFAOYSA-N
XLogP2.86
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [1-(aminomethyl)-4-methylcyclohexyl]-cyclohex-3-en-1-ylmethanol 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-(aminomethyl)-4-methylcyclohexyl]-cyclohex-3-en-1-ylmethanol?
The IUPAC name of [1-(aminomethyl)-4-methylcyclohexyl]-cyclohex-3-en-1-ylmethanol (CID 79137537) is [1-(aminomethyl)-4-methylcyclohexyl]-cyclohex-3-en-1-ylmethanol.
What is the SMILES notation for [1-(aminomethyl)-4-methylcyclohexyl]-cyclohex-3-en-1-ylmethanol?
The canonical SMILES for [1-(aminomethyl)-4-methylcyclohexyl]-cyclohex-3-en-1-ylmethanol is CC1CCC(CN)(C(O)C2CC=CCC2)CC1.
What is the InChIKey of [1-(aminomethyl)-4-methylcyclohexyl]-cyclohex-3-en-1-ylmethanol?
The InChIKey is CIYALKWPZFJRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-12-7-9-15(11-16,10-8-12)14(17)13-5-3-2-4-6-13/h2-3,12-14,17H,4-11,16H2,1H3.
What are the key properties of [1-(aminomethyl)-4-methylcyclohexyl]-cyclohex-3-en-1-ylmethanol?
[1-(aminomethyl)-4-methylcyclohexyl]-cyclohex-3-en-1-ylmethanol has a molecular weight of 237.39 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)-4-methylcyclohexyl]-cyclohex-3-en-1-ylmethanol is sourced from PubChem (CID 79137537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).