3-methyl-3-[(3-methylcyclohexyl)methylamino]butan-1-ol

C13H27NO — CID 115881256

IUPAC3-methyl-3-[(3-methylcyclohexyl)methylamino]butan-1-ol
SMILESCC1CCCC(CNC(C)(C)CCO)C1
InChIInChI=1S/C13H27NO/c1-11-5-4-6-12(9-11)10-14-13(2,3)7-8-15/h11-12,14-15H,4-10H2,1-3H3
InChIKeyKPNWBDSEFJPMSY-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.56
Rot. Bonds5

About 3-methyl-3-[(3-methylcyclohexyl)methylamino]butan-1-ol

3-methyl-3-[(3-methylcyclohexyl)methylamino]butan-1-ol (PubChem CID 115881256) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 3-methyl-3-[(3-methylcyclohexyl)methylamino]butan-1-ol.

Molecular Properties

Compound Name3-methyl-3-[(3-methylcyclohexyl)methylamino]butan-1-ol
PubChem CID115881256
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name3-methyl-3-[(3-methylcyclohexyl)methylamino]butan-1-ol
SMILESCC1CCCC(CNC(C)(C)CCO)C1
InChIInChI=1S/C13H27NO/c1-11-5-4-6-12(9-11)10-14-13(2,3)7-8-15/h11-12,14-15H,4-10H2,1-3H3
InChIKeyKPNWBDSEFJPMSY-UHFFFAOYSA-N
XLogP2.56
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 ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-methyl-3-[(3-methylcyclohexyl)methylamino]butan-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)methylamino]butan-2-ol
CID 115881296
4-[(3-methylcyclohexyl)methylamino]butan-1-ol
CID 106840660
[(1S)-3-methylcyclohexyl]methanol
CID 89207619
3,3-dimethyl-1-[(3-methylcyclohexyl)methylamino]butan-2-ol
CID 115881231
1-(3-methylcyclohexyl)-N-[(2-methylcyclopropyl)methyl]methanamine
CID 115881198
2-ethyl-2-[[(3-methylcyclohexyl)methylamino]methyl]butan-1-ol
CID 113345559
cis-(1S,3R)-1-(2,2-dimethylpropyl)-3-methylcyclohexane
CID 158565558
tert-butyl N-[[(1R,3S)-3-methylcyclohexyl]methyl]carbamate
CID 171338256
N-(cyclobutylmethyl)-2-methylbutan-2-amine
CID 65460080
N'-hydroxy-2,2-dimethyl-4-[(3-methylcyclohexyl)methylamino]butanimidamide
CID 114130997
methyl 2,2-dimethyl-3-[(3-methylcyclohexyl)methylamino]propanoate
CID 102671236
1-cyclopropyl-2-methyl-3-[(3-methylcyclohexyl)methyl]guanidine;hydroiodide
CID 110934560

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[(3-methylcyclohexyl)methylamino]butan-1-ol?
The IUPAC name of 3-methyl-3-[(3-methylcyclohexyl)methylamino]butan-1-ol (CID 115881256) is 3-methyl-3-[(3-methylcyclohexyl)methylamino]butan-1-ol.
What is the SMILES notation for 3-methyl-3-[(3-methylcyclohexyl)methylamino]butan-1-ol?
The canonical SMILES for 3-methyl-3-[(3-methylcyclohexyl)methylamino]butan-1-ol is CC1CCCC(CNC(C)(C)CCO)C1.
What is the InChIKey of 3-methyl-3-[(3-methylcyclohexyl)methylamino]butan-1-ol?
The InChIKey is KPNWBDSEFJPMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-11-5-4-6-12(9-11)10-14-13(2,3)7-8-15/h11-12,14-15H,4-10H2,1-3H3.
What are the key properties of 3-methyl-3-[(3-methylcyclohexyl)methylamino]butan-1-ol?
3-methyl-3-[(3-methylcyclohexyl)methylamino]butan-1-ol has a molecular weight of 213.36 g/mol, XLogP of 2.56, 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)methylamino]butan-1-ol is sourced from PubChem (CID 115881256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).