1-(cyclohex-3-en-1-ylmethylamino)-2,4-dimethylpentan-2-ol

C14H27NO — CID 66180745

IUPAC1-(cyclohex-3-en-1-ylmethylamino)-2,4-dimethylpentan-2-ol
SMILESCC(C)CC(C)(O)CNCC1CC=CCC1
InChIInChI=1S/C14H27NO/c1-12(2)9-14(3,16)11-15-10-13-7-5-4-6-8-13/h4-5,12-13,15-16H,6-11H2,1-3H3
InChIKeyWNZAJGYGAHKFNB-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.73
Rot. Bonds6

About 1-(cyclohex-3-en-1-ylmethylamino)-2,4-dimethylpentan-2-ol

1-(cyclohex-3-en-1-ylmethylamino)-2,4-dimethylpentan-2-ol (PubChem CID 66180745) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-(cyclohex-3-en-1-ylmethylamino)-2,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-(cyclohex-3-en-1-ylmethylamino)-2,4-dimethylpentan-2-ol
PubChem CID66180745
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name1-(cyclohex-3-en-1-ylmethylamino)-2,4-dimethylpentan-2-ol
SMILESCC(C)CC(C)(O)CNCC1CC=CCC1
InChIInChI=1S/C14H27NO/c1-12(2)9-14(3,16)11-15-10-13-7-5-4-6-8-13/h4-5,12-13,15-16H,6-11H2,1-3H3
InChIKeyWNZAJGYGAHKFNB-UHFFFAOYSA-N
XLogP2.73
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(cyclohex-3-en-1-ylmethylamino)-2,4-dimethylpentan-2-ol 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-(cyclohex-3-en-1-ylmethylamino)-2,4-dimethylpentan-2-ol?
The IUPAC name of 1-(cyclohex-3-en-1-ylmethylamino)-2,4-dimethylpentan-2-ol (CID 66180745) is 1-(cyclohex-3-en-1-ylmethylamino)-2,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-(cyclohex-3-en-1-ylmethylamino)-2,4-dimethylpentan-2-ol?
The canonical SMILES for 1-(cyclohex-3-en-1-ylmethylamino)-2,4-dimethylpentan-2-ol is CC(C)CC(C)(O)CNCC1CC=CCC1.
What is the InChIKey of 1-(cyclohex-3-en-1-ylmethylamino)-2,4-dimethylpentan-2-ol?
The InChIKey is WNZAJGYGAHKFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-12(2)9-14(3,16)11-15-10-13-7-5-4-6-8-13/h4-5,12-13,15-16H,6-11H2,1-3H3.
What are the key properties of 1-(cyclohex-3-en-1-ylmethylamino)-2,4-dimethylpentan-2-ol?
1-(cyclohex-3-en-1-ylmethylamino)-2,4-dimethylpentan-2-ol has a molecular weight of 225.38 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohex-3-en-1-ylmethylamino)-2,4-dimethylpentan-2-ol is sourced from PubChem (CID 66180745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).