3-methyl-3-[[(4-methylcyclohexyl)amino]methyl]pentan-2-ol

C14H29NO — CID 115763261

IUPAC3-methyl-3-[[(4-methylcyclohexyl)amino]methyl]pentan-2-ol
SMILESCCC(C)(CNC1CCC(C)CC1)C(C)O
InChIInChI=1S/C14H29NO/c1-5-14(4,12(3)16)10-15-13-8-6-11(2)7-9-13/h11-13,15-16H,5-10H2,1-4H3
InChIKeyBKYCDMJRPIZKME-UHFFFAOYSA-N
MW227.39 g/mol
LogP2.95
Rot. Bonds5

About 3-methyl-3-[[(4-methylcyclohexyl)amino]methyl]pentan-2-ol

3-methyl-3-[[(4-methylcyclohexyl)amino]methyl]pentan-2-ol (PubChem CID 115763261) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 3-methyl-3-[[(4-methylcyclohexyl)amino]methyl]pentan-2-ol.

Molecular Properties

Compound Name3-methyl-3-[[(4-methylcyclohexyl)amino]methyl]pentan-2-ol
PubChem CID115763261
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name3-methyl-3-[[(4-methylcyclohexyl)amino]methyl]pentan-2-ol
SMILESCCC(C)(CNC1CCC(C)CC1)C(C)O
InChIInChI=1S/C14H29NO/c1-5-14(4,12(3)16)10-15-13-8-6-11(2)7-9-13/h11-13,15-16H,5-10H2,1-4H3
InChIKeyBKYCDMJRPIZKME-UHFFFAOYSA-N
XLogP2.95
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 ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-methyl-3-[[(4-methylcyclohexyl)amino]methyl]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

1,1-difluoro-3-[(4-methylcyclohexyl)amino]propan-2-ol
CID 103731557
3-methyl-3-[(propan-2-ylamino)methyl]pentan-2-ol
CID 115906569
3-methyl-3-[(oxan-4-ylmethylamino)methyl]pentan-2-ol
CID 115763283
3-[(butan-2-ylamino)methyl]-3-methylpentan-2-ol
CID 115895940
2-methyl-1-[(4-propan-2-ylcycloheptyl)amino]butan-2-ol
CID 65102608
tert-butyl N-[3-[[(4-methylcycloheptyl)amino]methyl]pentan-3-yl]carbamate
CID 107251671
N-cyclopropyl-2,2-diethyl-N'-methyl-N'-(4-methylcyclohexyl)propane-1,3-diamine
CID 63494489
N-(2-cyclopropyl-2-methylbutyl)cyclopropanamine
CID 83160155
2-cyclopropyl-1-(cyclopropylamino)butan-2-ol
CID 64919587
3-methyl-3-[(4-methylpentan-2-ylamino)methyl]pentan-2-ol
CID 115895973
2-methyl-2-[(4-methylcyclohexyl)amino]pentan-1-ol
CID 115907238
N-[2-[(5-chlorothiophen-2-yl)methyl]-2,3-dimethylbutyl]cyclopropanamine
CID 83151192

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[[(4-methylcyclohexyl)amino]methyl]pentan-2-ol?
The IUPAC name of 3-methyl-3-[[(4-methylcyclohexyl)amino]methyl]pentan-2-ol (CID 115763261) is 3-methyl-3-[[(4-methylcyclohexyl)amino]methyl]pentan-2-ol.
What is the SMILES notation for 3-methyl-3-[[(4-methylcyclohexyl)amino]methyl]pentan-2-ol?
The canonical SMILES for 3-methyl-3-[[(4-methylcyclohexyl)amino]methyl]pentan-2-ol is CCC(C)(CNC1CCC(C)CC1)C(C)O.
What is the InChIKey of 3-methyl-3-[[(4-methylcyclohexyl)amino]methyl]pentan-2-ol?
The InChIKey is BKYCDMJRPIZKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-5-14(4,12(3)16)10-15-13-8-6-11(2)7-9-13/h11-13,15-16H,5-10H2,1-4H3.
What are the key properties of 3-methyl-3-[[(4-methylcyclohexyl)amino]methyl]pentan-2-ol?
3-methyl-3-[[(4-methylcyclohexyl)amino]methyl]pentan-2-ol has a molecular weight of 227.39 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[[(4-methylcyclohexyl)amino]methyl]pentan-2-ol is sourced from PubChem (CID 115763261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).