1-(1-aminobutyl)cyclohexan-1-ol

C10H21NO — CID 15638571

IUPAC1-(1-aminobutyl)cyclohexan-1-ol
SMILESCCCC(N)C1(O)CCCCC1
InChIInChI=1S/C10H21NO/c1-2-6-9(11)10(12)7-4-3-5-8-10/h9,12H,2-8,11H2,1H3
InChIKeyJQNWCARQBICWJS-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.81
Rot. Bonds3

About 1-(1-aminobutyl)cyclohexan-1-ol

1-(1-aminobutyl)cyclohexan-1-ol (PubChem CID 15638571) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 1-(1-aminobutyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(1-aminobutyl)cyclohexan-1-ol
PubChem CID15638571
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name1-(1-aminobutyl)cyclohexan-1-ol
SMILESCCCC(N)C1(O)CCCCC1
InChIInChI=1S/C10H21NO/c1-2-6-9(11)10(12)7-4-3-5-8-10/h9,12H,2-8,11H2,1H3
InChIKeyJQNWCARQBICWJS-UHFFFAOYSA-N
XLogP1.81
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(1-aminobutyl)cyclohexan-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-aminobutyl)cyclohexan-1-ol?
The IUPAC name of 1-(1-aminobutyl)cyclohexan-1-ol (CID 15638571) is 1-(1-aminobutyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(1-aminobutyl)cyclohexan-1-ol?
The canonical SMILES for 1-(1-aminobutyl)cyclohexan-1-ol is CCCC(N)C1(O)CCCCC1.
What is the InChIKey of 1-(1-aminobutyl)cyclohexan-1-ol?
The InChIKey is JQNWCARQBICWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-2-6-9(11)10(12)7-4-3-5-8-10/h9,12H,2-8,11H2,1H3.
What are the key properties of 1-(1-aminobutyl)cyclohexan-1-ol?
1-(1-aminobutyl)cyclohexan-1-ol has a molecular weight of 171.28 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminobutyl)cyclohexan-1-ol is sourced from PubChem (CID 15638571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).