3-[(4,4-dimethylcyclohexyl)amino]-3-methylpentan-1-ol

C14H29NO — CID 115908222

IUPAC3-[(4,4-dimethylcyclohexyl)amino]-3-methylpentan-1-ol
SMILESCCC(C)(CCO)NC1CCC(C)(C)CC1
InChIInChI=1S/C14H29NO/c1-5-14(4,10-11-16)15-12-6-8-13(2,3)9-7-12/h12,15-16H,5-11H2,1-4H3
InChIKeyUJOWWISRNZZMBD-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.10
Rot. Bonds5

About 3-[(4,4-dimethylcyclohexyl)amino]-3-methylpentan-1-ol

3-[(4,4-dimethylcyclohexyl)amino]-3-methylpentan-1-ol (PubChem CID 115908222) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 3-[(4,4-dimethylcyclohexyl)amino]-3-methylpentan-1-ol.

Molecular Properties

Compound Name3-[(4,4-dimethylcyclohexyl)amino]-3-methylpentan-1-ol
PubChem CID115908222
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name3-[(4,4-dimethylcyclohexyl)amino]-3-methylpentan-1-ol
SMILESCCC(C)(CCO)NC1CCC(C)(C)CC1
InChIInChI=1S/C14H29NO/c1-5-14(4,10-11-16)15-12-6-8-13(2,3)9-7-12/h12,15-16H,5-11H2,1-4H3
InChIKeyUJOWWISRNZZMBD-UHFFFAOYSA-N
XLogP3.10
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[(4,4-dimethylcyclohexyl)amino]-3-methylpentan-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

3-methyl-3-[(3-methylcyclohexyl)amino]pentan-1-ol
CID 115908227
trans-(1S,2S)-2-[(1-hydroxy-3-methylpentan-3-yl)amino]cyclohexan-1-ol
CID 106175555
2-[(1-hydroxy-3-methylpentan-3-yl)amino]cyclopentan-1-ol
CID 106175834
3-methyl-3-[(1-pyridin-4-ylpiperidin-4-yl)amino]pentan-1-ol
CID 106172761
3-(1-cyclohexylethylamino)-3-methylpentan-1-ol
CID 115921126
3-methyl-3-[(2-methyloxolan-3-yl)amino]pentan-1-ol
CID 115921094
N-(3-methylhexan-3-yl)thian-4-amine
CID 139319987
3-methyl-3-(propan-2-ylamino)pentan-1-ol
CID 115921099
2-methyl-2-[(4-methylcyclohexyl)amino]pentan-1-ol
CID 115907238
3-[[(4,4-dimethylcyclohexyl)amino]methyl]pentan-3-ol
CID 65105869
2-(cyclopropylamino)-4-(2-ethoxyethoxy)-2-methylbutan-1-ol
CID 64802763
2-cyclopropyl-N-(1-hydroxy-3-methylpentan-3-yl)acetamide
CID 103945988

Frequently Asked Questions

What is the IUPAC name of 3-[(4,4-dimethylcyclohexyl)amino]-3-methylpentan-1-ol?
The IUPAC name of 3-[(4,4-dimethylcyclohexyl)amino]-3-methylpentan-1-ol (CID 115908222) is 3-[(4,4-dimethylcyclohexyl)amino]-3-methylpentan-1-ol.
What is the SMILES notation for 3-[(4,4-dimethylcyclohexyl)amino]-3-methylpentan-1-ol?
The canonical SMILES for 3-[(4,4-dimethylcyclohexyl)amino]-3-methylpentan-1-ol is CCC(C)(CCO)NC1CCC(C)(C)CC1.
What is the InChIKey of 3-[(4,4-dimethylcyclohexyl)amino]-3-methylpentan-1-ol?
The InChIKey is UJOWWISRNZZMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-5-14(4,10-11-16)15-12-6-8-13(2,3)9-7-12/h12,15-16H,5-11H2,1-4H3.
What are the key properties of 3-[(4,4-dimethylcyclohexyl)amino]-3-methylpentan-1-ol?
3-[(4,4-dimethylcyclohexyl)amino]-3-methylpentan-1-ol has a molecular weight of 227.39 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,4-dimethylcyclohexyl)amino]-3-methylpentan-1-ol is sourced from PubChem (CID 115908222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).