4-methyl-1-[(3,3,5-trimethylcyclohexyl)amino]pentan-2-ol

C15H31NO — CID 103698837

IUPAC4-methyl-1-[(3,3,5-trimethylcyclohexyl)amino]pentan-2-ol
SMILESCC(C)CC(O)CNC1CC(C)CC(C)(C)C1
InChIInChI=1S/C15H31NO/c1-11(2)6-14(17)10-16-13-7-12(3)8-15(4,5)9-13/h11-14,16-17H,6-10H2,1-5H3
InChIKeyMIXLJCMIESFLGC-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.20
Rot. Bonds5

About 4-methyl-1-[(3,3,5-trimethylcyclohexyl)amino]pentan-2-ol

4-methyl-1-[(3,3,5-trimethylcyclohexyl)amino]pentan-2-ol (PubChem CID 103698837) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 4-methyl-1-[(3,3,5-trimethylcyclohexyl)amino]pentan-2-ol.

Molecular Properties

Compound Name4-methyl-1-[(3,3,5-trimethylcyclohexyl)amino]pentan-2-ol
PubChem CID103698837
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name4-methyl-1-[(3,3,5-trimethylcyclohexyl)amino]pentan-2-ol
SMILESCC(C)CC(O)CNC1CC(C)CC(C)(C)C1
InChIInChI=1S/C15H31NO/c1-11(2)6-14(17)10-16-13-7-12(3)8-15(4,5)9-13/h11-14,16-17H,6-10H2,1-5H3
InChIKeyMIXLJCMIESFLGC-UHFFFAOYSA-N
XLogP3.20
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-methyl-1-[(3,3,5-trimethylcyclohexyl)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

(2S)-1-[(3,3,5-trimethylcyclohexyl)amino]propan-2-ol
CID 103884021
4-methyl-2-[[(3,3,5-trimethylcyclohexyl)amino]methyl]pentanoic acid
CID 122127730
4-methyl-1-[(3-methylcyclohexyl)amino]pentan-2-ol
CID 111466545
(2S)-2-[[(1S,5S)-3,3,5-trimethylcyclohexyl]amino]propan-1-ol
CID 93082557
(2S)-2-[[(1R,5R)-3,3,5-trimethylcyclohexyl]amino]propan-1-ol
CID 93082560
(2R)-2-[(3,3,5-trimethylcyclohexyl)amino]propan-1-ol
CID 114985548
2-[(3,3,5-trimethylcyclohexyl)amino]propan-1-ol
CID 43499568
1-N,1-N,4-trimethyl-2-N-(3,3,5-trimethylcyclohexyl)pentane-1,2-diamine
CID 43751710
N'-(3,3,5-trimethylcyclohexyl)ethane-1,2-diamine
CID 60887199
1-[(3-ethoxycyclobutyl)amino]-4-methylpentan-2-ol
CID 103917750
4,4-dimethyl-1-[[(3,3,5-trimethylcyclohexyl)amino]methyl]cyclohexan-1-ol
CID 65115104
3-methyl-2-[(3,3,5-trimethylcyclohexyl)amino]butan-1-ol
CID 79253848

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(3,3,5-trimethylcyclohexyl)amino]pentan-2-ol?
The IUPAC name of 4-methyl-1-[(3,3,5-trimethylcyclohexyl)amino]pentan-2-ol (CID 103698837) is 4-methyl-1-[(3,3,5-trimethylcyclohexyl)amino]pentan-2-ol.
What is the SMILES notation for 4-methyl-1-[(3,3,5-trimethylcyclohexyl)amino]pentan-2-ol?
The canonical SMILES for 4-methyl-1-[(3,3,5-trimethylcyclohexyl)amino]pentan-2-ol is CC(C)CC(O)CNC1CC(C)CC(C)(C)C1.
What is the InChIKey of 4-methyl-1-[(3,3,5-trimethylcyclohexyl)amino]pentan-2-ol?
The InChIKey is MIXLJCMIESFLGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-11(2)6-14(17)10-16-13-7-12(3)8-15(4,5)9-13/h11-14,16-17H,6-10H2,1-5H3.
What are the key properties of 4-methyl-1-[(3,3,5-trimethylcyclohexyl)amino]pentan-2-ol?
4-methyl-1-[(3,3,5-trimethylcyclohexyl)amino]pentan-2-ol has a molecular weight of 241.42 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(3,3,5-trimethylcyclohexyl)amino]pentan-2-ol is sourced from PubChem (CID 103698837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).