1-(1-aminopropan-2-yl)-3,5-dimethylcyclohexan-1-ol

C11H23NO — CID 79125773

IUPAC1-(1-aminopropan-2-yl)-3,5-dimethylcyclohexan-1-ol
SMILESCC1CC(C)CC(O)(C(C)CN)C1
InChIInChI=1S/C11H23NO/c1-8-4-9(2)6-11(13,5-8)10(3)7-12/h8-10,13H,4-7,12H2,1-3H3
InChIKeyRCUCECKPMSPQBH-UHFFFAOYSA-N
MW185.31 g/mol
LogP1.77
Rot. Bonds2

About 1-(1-aminopropan-2-yl)-3,5-dimethylcyclohexan-1-ol

1-(1-aminopropan-2-yl)-3,5-dimethylcyclohexan-1-ol (PubChem CID 79125773) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 1-(1-aminopropan-2-yl)-3,5-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(1-aminopropan-2-yl)-3,5-dimethylcyclohexan-1-ol
PubChem CID79125773
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name1-(1-aminopropan-2-yl)-3,5-dimethylcyclohexan-1-ol
SMILESCC1CC(C)CC(O)(C(C)CN)C1
InChIInChI=1S/C11H23NO/c1-8-4-9(2)6-11(13,5-8)10(3)7-12/h8-10,13H,4-7,12H2,1-3H3
InChIKeyRCUCECKPMSPQBH-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 1-(1-aminopropan-2-yl)-3,5-dimethylcyclohexan-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

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminopropan-2-yl)-3,5-dimethylcyclohexan-1-ol?
The IUPAC name of 1-(1-aminopropan-2-yl)-3,5-dimethylcyclohexan-1-ol (CID 79125773) is 1-(1-aminopropan-2-yl)-3,5-dimethylcyclohexan-1-ol.
What is the SMILES notation for 1-(1-aminopropan-2-yl)-3,5-dimethylcyclohexan-1-ol?
The canonical SMILES for 1-(1-aminopropan-2-yl)-3,5-dimethylcyclohexan-1-ol is CC1CC(C)CC(O)(C(C)CN)C1.
What is the InChIKey of 1-(1-aminopropan-2-yl)-3,5-dimethylcyclohexan-1-ol?
The InChIKey is RCUCECKPMSPQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-8-4-9(2)6-11(13,5-8)10(3)7-12/h8-10,13H,4-7,12H2,1-3H3.
What are the key properties of 1-(1-aminopropan-2-yl)-3,5-dimethylcyclohexan-1-ol?
1-(1-aminopropan-2-yl)-3,5-dimethylcyclohexan-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 1-(1-aminopropan-2-yl)-3,5-dimethylcyclohexan-1-ol is sourced from PubChem (CID 79125773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).