2-amino-1-(3,4-dimethylcyclohexyl)propan-1-ol

C11H23NO — CID 164658390

IUPAC2-amino-1-(3,4-dimethylcyclohexyl)propan-1-ol
SMILESCC(N)C(O)C1CCC(C)C(C)C1
InChIInChI=1S/C11H23NO/c1-7-4-5-10(6-8(7)2)11(13)9(3)12/h7-11,13H,4-6,12H2,1-3H3
InChIKeyKYGNBPRZQYBGNK-UHFFFAOYSA-N
MW185.31 g/mol
LogP1.77
Rot. Bonds2

About 2-amino-1-(3,4-dimethylcyclohexyl)propan-1-ol

2-amino-1-(3,4-dimethylcyclohexyl)propan-1-ol (PubChem CID 164658390) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 2-amino-1-(3,4-dimethylcyclohexyl)propan-1-ol.

Molecular Properties

Compound Name2-amino-1-(3,4-dimethylcyclohexyl)propan-1-ol
PubChem CID164658390
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name2-amino-1-(3,4-dimethylcyclohexyl)propan-1-ol
SMILESCC(N)C(O)C1CCC(C)C(C)C1
InChIInChI=1S/C11H23NO/c1-7-4-5-10(6-8(7)2)11(13)9(3)12/h7-11,13H,4-6,12H2,1-3H3
InChIKeyKYGNBPRZQYBGNK-UHFFFAOYSA-N
XLogP1.77
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-amino-1-(3,4-dimethylcyclohexyl)propan-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-(3,4-dimethylcyclohexyl)butan-2-ol
CID 79424372
2-amino-2-(3,4-dimethylcyclohexyl)acetamide
CID 64990996
(2S)-2-amino-1-(2-methylcyclobutyl)propan-1-ol
CID 68606405
[cyclopropyl-(3,4-dimethylcyclohexyl)methyl]hydrazine
CID 105202513
3-amino-1-(3,4-dimethylcyclohexyl)-2-methylbutan-1-one
CID 116612177
1-(3,4-dimethylcyclohexyl)-3-methylpentan-1-amine
CID 104989434
(3,4-dimethylcyclohexyl)-(2-methylcyclopentyl)methanamine
CID 107189199
1-(3,4-dimethylcyclohexyl)-3,3-dimethylbutan-1-amine
CID 64738046
[cyclobutyl-(3,4-dimethylcyclohexyl)methyl]hydrazine
CID 105224480
(2S)-2-amino-1-cyclohexylpropan-1-ol;hydrochloride
CID 126622776
1,2-dimethyl-4-(4-methylpentan-2-yl)cyclohexane
CID 91128405
(3,4-dimethylcyclohexyl)-(thiolan-3-yl)methanol
CID 105103138

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3,4-dimethylcyclohexyl)propan-1-ol?
The IUPAC name of 2-amino-1-(3,4-dimethylcyclohexyl)propan-1-ol (CID 164658390) is 2-amino-1-(3,4-dimethylcyclohexyl)propan-1-ol.
What is the SMILES notation for 2-amino-1-(3,4-dimethylcyclohexyl)propan-1-ol?
The canonical SMILES for 2-amino-1-(3,4-dimethylcyclohexyl)propan-1-ol is CC(N)C(O)C1CCC(C)C(C)C1.
What is the InChIKey of 2-amino-1-(3,4-dimethylcyclohexyl)propan-1-ol?
The InChIKey is KYGNBPRZQYBGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-7-4-5-10(6-8(7)2)11(13)9(3)12/h7-11,13H,4-6,12H2,1-3H3.
What are the key properties of 2-amino-1-(3,4-dimethylcyclohexyl)propan-1-ol?
2-amino-1-(3,4-dimethylcyclohexyl)propan-1-ol has a molecular weight of 185.31 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3,4-dimethylcyclohexyl)propan-1-ol is sourced from PubChem (CID 164658390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).