4,4-dimethyl-1-[(2-methylcyclohexyl)amino]pentan-2-ol

C14H29NO — CID 115721189

IUPAC4,4-dimethyl-1-[(2-methylcyclohexyl)amino]pentan-2-ol
SMILESCC1CCCCC1NCC(O)CC(C)(C)C
InChIInChI=1S/C14H29NO/c1-11-7-5-6-8-13(11)15-10-12(16)9-14(2,3)4/h11-13,15-16H,5-10H2,1-4H3
InChIKeyUVUDOCDXNZYXCT-UHFFFAOYSA-N
MW227.39 g/mol
LogP2.95
Rot. Bonds4

About 4,4-dimethyl-1-[(2-methylcyclohexyl)amino]pentan-2-ol

4,4-dimethyl-1-[(2-methylcyclohexyl)amino]pentan-2-ol (PubChem CID 115721189) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 4,4-dimethyl-1-[(2-methylcyclohexyl)amino]pentan-2-ol.

Molecular Properties

Compound Name4,4-dimethyl-1-[(2-methylcyclohexyl)amino]pentan-2-ol
PubChem CID115721189
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name4,4-dimethyl-1-[(2-methylcyclohexyl)amino]pentan-2-ol
SMILESCC1CCCCC1NCC(O)CC(C)(C)C
InChIInChI=1S/C14H29NO/c1-11-7-5-6-8-13(11)15-10-12(16)9-14(2,3)4/h11-13,15-16H,5-10H2,1-4H3
InChIKeyUVUDOCDXNZYXCT-UHFFFAOYSA-N
XLogP2.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4,4-dimethyl-1-[(2-methylcyclohexyl)amino]pentan-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

Related Compounds

3-[(2-methylcycloheptyl)amino]propane-1,2-diol
CID 77073747
1-(cyclooctylamino)-4,4-dimethylpentan-2-ol
CID 103784422
4,4-dimethyl-1-[(2-methyloxolan-3-yl)amino]pentan-2-ol
CID 115751370
1-ethoxy-3-[(2-methylcyclohexyl)amino]propan-2-ol
CID 63933567
4,4-dimethyl-1-[(2-phenylcyclohexyl)amino]pentan-2-ol
CID 107151533
(2R)-1-[[(1R,2R)-2-methylcyclopentyl]amino]propan-2-ol
CID 95377482
(2S)-1-[(2-methylcyclopentyl)amino]propan-2-ol
CID 103884041
1-cyclohexyloxy-3-[(2-methylcyclopentyl)amino]propan-2-ol
CID 63278409
1-[(2-methylcyclohexyl)amino]-3-octoxypropan-2-ol
CID 60632322
2,4-dimethyl-1-[(2-methylcyclohexyl)amino]pentan-2-ol
CID 66178990
1-(2-ethylcyclohexyl)oxy-3-[(2-methylcyclopentyl)amino]propan-2-ol
CID 63281525
1-[(2-methylcyclopentyl)amino]-3-(4-methylpentan-2-yloxy)propan-2-ol
CID 55172046

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-[(2-methylcyclohexyl)amino]pentan-2-ol?
The IUPAC name of 4,4-dimethyl-1-[(2-methylcyclohexyl)amino]pentan-2-ol (CID 115721189) is 4,4-dimethyl-1-[(2-methylcyclohexyl)amino]pentan-2-ol.
What is the SMILES notation for 4,4-dimethyl-1-[(2-methylcyclohexyl)amino]pentan-2-ol?
The canonical SMILES for 4,4-dimethyl-1-[(2-methylcyclohexyl)amino]pentan-2-ol is CC1CCCCC1NCC(O)CC(C)(C)C.
What is the InChIKey of 4,4-dimethyl-1-[(2-methylcyclohexyl)amino]pentan-2-ol?
The InChIKey is UVUDOCDXNZYXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-11-7-5-6-8-13(11)15-10-12(16)9-14(2,3)4/h11-13,15-16H,5-10H2,1-4H3.
What are the key properties of 4,4-dimethyl-1-[(2-methylcyclohexyl)amino]pentan-2-ol?
4,4-dimethyl-1-[(2-methylcyclohexyl)amino]pentan-2-ol has a molecular weight of 227.39 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-[(2-methylcyclohexyl)amino]pentan-2-ol is sourced from PubChem (CID 115721189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).