3-methyl-3-[(3-methylcyclohexyl)amino]pentan-1-ol

C13H27NO — CID 115908227

IUPAC3-methyl-3-[(3-methylcyclohexyl)amino]pentan-1-ol
SMILESCCC(C)(CCO)NC1CCCC(C)C1
InChIInChI=1S/C13H27NO/c1-4-13(3,8-9-15)14-12-7-5-6-11(2)10-12/h11-12,14-15H,4-10H2,1-3H3
InChIKeyMNQNTHXLOQROHS-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.71
Rot. Bonds5

About 3-methyl-3-[(3-methylcyclohexyl)amino]pentan-1-ol

3-methyl-3-[(3-methylcyclohexyl)amino]pentan-1-ol (PubChem CID 115908227) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 3-methyl-3-[(3-methylcyclohexyl)amino]pentan-1-ol.

Molecular Properties

Compound Name3-methyl-3-[(3-methylcyclohexyl)amino]pentan-1-ol
PubChem CID115908227
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name3-methyl-3-[(3-methylcyclohexyl)amino]pentan-1-ol
SMILESCCC(C)(CCO)NC1CCCC(C)C1
InChIInChI=1S/C13H27NO/c1-4-13(3,8-9-15)14-12-7-5-6-11(2)10-12/h11-12,14-15H,4-10H2,1-3H3
InChIKeyMNQNTHXLOQROHS-UHFFFAOYSA-N
XLogP2.71
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-methyl-3-[(3-methylcyclohexyl)amino]pentan-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-[(4,4-dimethylcyclohexyl)amino]-3-methylpentan-1-ol
CID 115908222
2-[(1-hydroxy-3-methylpentan-3-yl)amino]cyclopentan-1-ol
CID 106175834
2,3-dimethyl-3-[(3-methylcyclohexyl)amino]butan-2-ol
CID 103952729
trans-(1S,2S)-2-[(1-hydroxy-3-methylpentan-3-yl)amino]cyclohexan-1-ol
CID 106175555
N-(2-cyclopropylpropan-2-yl)-3-methylcyclohexan-1-amine
CID 103923064
3-(1-cyclohexylethylamino)-3-methylpentan-1-ol
CID 115921126
3-methyl-3-[(2-methyloxolan-3-yl)amino]pentan-1-ol
CID 115921094
(2S)-2-[[(1S,3S)-3-methylcyclohexyl]amino]propan-1-ol
CID 93082959
2-methyl-1-[[(1R,3S)-3-methylcyclohexyl]amino]propan-2-ol
CID 93346375
3-methyl-3-(propan-2-ylamino)pentan-1-ol
CID 115921099
cis-(1S,2R)-2-[(1-hydroxy-3-methylpentan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 106167862
3-methyl-3-[(3-methylcyclohexyl)methylamino]butan-1-ol
CID 115881256

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[(3-methylcyclohexyl)amino]pentan-1-ol?
The IUPAC name of 3-methyl-3-[(3-methylcyclohexyl)amino]pentan-1-ol (CID 115908227) is 3-methyl-3-[(3-methylcyclohexyl)amino]pentan-1-ol.
What is the SMILES notation for 3-methyl-3-[(3-methylcyclohexyl)amino]pentan-1-ol?
The canonical SMILES for 3-methyl-3-[(3-methylcyclohexyl)amino]pentan-1-ol is CCC(C)(CCO)NC1CCCC(C)C1.
What is the InChIKey of 3-methyl-3-[(3-methylcyclohexyl)amino]pentan-1-ol?
The InChIKey is MNQNTHXLOQROHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-4-13(3,8-9-15)14-12-7-5-6-11(2)10-12/h11-12,14-15H,4-10H2,1-3H3.
What are the key properties of 3-methyl-3-[(3-methylcyclohexyl)amino]pentan-1-ol?
3-methyl-3-[(3-methylcyclohexyl)amino]pentan-1-ol has a molecular weight of 213.36 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[(3-methylcyclohexyl)amino]pentan-1-ol is sourced from PubChem (CID 115908227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).