2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-3-methylbutan-1-ol

C14H27NO — CID 103276887

IUPAC2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-3-methylbutan-1-ol
SMILESCC1=CC(C)CC(CNC(CO)C(C)C)C1
InChIInChI=1S/C14H27NO/c1-10(2)14(9-16)15-8-13-6-11(3)5-12(4)7-13/h5,10-11,13-16H,6-9H2,1-4H3
InChIKeyBQYKKDMTPDAZGQ-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.59
Rot. Bonds5

About 2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-3-methylbutan-1-ol

2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-3-methylbutan-1-ol (PubChem CID 103276887) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-3-methylbutan-1-ol
PubChem CID103276887
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-3-methylbutan-1-ol
SMILESCC1=CC(C)CC(CNC(CO)C(C)C)C1
InChIInChI=1S/C14H27NO/c1-10(2)14(9-16)15-8-13-6-11(3)5-12(4)7-13/h5,10-11,13-16H,6-9H2,1-4H3
InChIKeyBQYKKDMTPDAZGQ-UHFFFAOYSA-N
XLogP2.59
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-3-methylbutan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-[(1R)-4-methylcyclohex-3-en-1-yl]butylamino]ethanol
CID 46193852
(1S,2S)-1-cyclohexa-2,4-dien-1-yl-2-(methylamino)propan-1-ol
CID 129629515
2-(Cyclohex-3-en-1-ylmethylamino)-2-methylpentan-1-ol
CID 75387507
1-[(2-Methylcyclohexyl)amino]hex-5-EN-2-OL
CID 86797547
2-[1-(6-Fluoro-4-propan-2-ylcyclohexa-1,3-dien-1-yl)ethylamino]ethanol
CID 163990228
1-Cyclohex-3-en-1-yl-2-(cyclohexylamino)ethanol
CID 134924288
2-(Tert-butylamino)-1-cyclohex-3-en-1-ylethanol
CID 134986213
3-[(3,5-Dimethylcyclohex-3-en-1-yl)methylamino]-1,1-difluoropropan-2-ol
CID 105644482
3-[(3,5-Dimethylcyclohex-3-en-1-yl)methylamino]-2,2-difluoropropan-1-ol
CID 106173030
2-(3,5-Dimethylcyclohex-3-en-1-yl)-2-(2,2,2-trifluoroethylamino)ethanol
CID 113797566
3-[(3,5-Dimethylcyclohex-3-en-1-yl)methylamino]-1,1,1-trifluoropropan-2-ol
CID 114093237
2-[(1-Cyclohex-1-en-1-ylethyl)amino]propane-1,3-diol
CID 50980110

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-3-methylbutan-1-ol?
The IUPAC name of 2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-3-methylbutan-1-ol (CID 103276887) is 2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-3-methylbutan-1-ol.
What is the SMILES notation for 2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-3-methylbutan-1-ol?
The canonical SMILES for 2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-3-methylbutan-1-ol is CC1=CC(C)CC(CNC(CO)C(C)C)C1.
What is the InChIKey of 2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-3-methylbutan-1-ol?
The InChIKey is BQYKKDMTPDAZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-10(2)14(9-16)15-8-13-6-11(3)5-12(4)7-13/h5,10-11,13-16H,6-9H2,1-4H3.
What are the key properties of 2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-3-methylbutan-1-ol?
2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-3-methylbutan-1-ol has a molecular weight of 225.38 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-3-methylbutan-1-ol is sourced from PubChem (CID 103276887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).