3-amino-1-(4-methylcyclohexyl)cyclobutan-1-ol

C11H21NO — CID 80561498

IUPAC3-amino-1-(4-methylcyclohexyl)cyclobutan-1-ol
SMILESCC1CCC(C2(O)CC(N)C2)CC1
InChIInChI=1S/C11H21NO/c1-8-2-4-9(5-3-8)11(13)6-10(12)7-11/h8-10,13H,2-7,12H2,1H3
InChIKeyZMSWSKLSOGXOJH-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.66
Rot. Bonds1

About 3-amino-1-(4-methylcyclohexyl)cyclobutan-1-ol

3-amino-1-(4-methylcyclohexyl)cyclobutan-1-ol (PubChem CID 80561498) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 3-amino-1-(4-methylcyclohexyl)cyclobutan-1-ol.

Molecular Properties

Compound Name3-amino-1-(4-methylcyclohexyl)cyclobutan-1-ol
PubChem CID80561498
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name3-amino-1-(4-methylcyclohexyl)cyclobutan-1-ol
SMILESCC1CCC(C2(O)CC(N)C2)CC1
InChIInChI=1S/C11H21NO/c1-8-2-4-9(5-3-8)11(13)6-10(12)7-11/h8-10,13H,2-7,12H2,1H3
InChIKeyZMSWSKLSOGXOJH-UHFFFAOYSA-N
XLogP1.66
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-amino-1-(4-methylcyclohexyl)cyclobutan-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 3-amino-1-(4-methylcyclohexyl)cyclobutan-1-ol?
The IUPAC name of 3-amino-1-(4-methylcyclohexyl)cyclobutan-1-ol (CID 80561498) is 3-amino-1-(4-methylcyclohexyl)cyclobutan-1-ol.
What is the SMILES notation for 3-amino-1-(4-methylcyclohexyl)cyclobutan-1-ol?
The canonical SMILES for 3-amino-1-(4-methylcyclohexyl)cyclobutan-1-ol is CC1CCC(C2(O)CC(N)C2)CC1.
What is the InChIKey of 3-amino-1-(4-methylcyclohexyl)cyclobutan-1-ol?
The InChIKey is ZMSWSKLSOGXOJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-8-2-4-9(5-3-8)11(13)6-10(12)7-11/h8-10,13H,2-7,12H2,1H3.
What are the key properties of 3-amino-1-(4-methylcyclohexyl)cyclobutan-1-ol?
3-amino-1-(4-methylcyclohexyl)cyclobutan-1-ol has a molecular weight of 183.29 g/mol, XLogP of 1.66, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4-methylcyclohexyl)cyclobutan-1-ol is sourced from PubChem (CID 80561498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).