1-(2-iminocyclohexyl)butan-1-ol

C10H19NO — CID 67882696

IUPAC1-(2-iminocyclohexyl)butan-1-ol
SMILES[H]/N=C1\CCCCC1C(O)CCC
InChIInChI=1S/C10H19NO/c1-2-5-10(12)8-6-3-4-7-9(8)11/h8,10-12H,2-7H2,1H3/b11-9+
InChIKeyMDOQZWTVCRTCND-PKNBQFBNSA-N
MW169.27 g/mol
LogP2.36
Rot. Bonds3

About 1-(2-iminocyclohexyl)butan-1-ol

1-(2-iminocyclohexyl)butan-1-ol (PubChem CID 67882696) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-(2-iminocyclohexyl)butan-1-ol.

Molecular Properties

Compound Name1-(2-iminocyclohexyl)butan-1-ol
PubChem CID67882696
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name1-(2-iminocyclohexyl)butan-1-ol
SMILES[H]/N=C1\CCCCC1C(O)CCC
InChIInChI=1S/C10H19NO/c1-2-5-10(12)8-6-3-4-7-9(8)11/h8,10-12H,2-7H2,1H3/b11-9+
InChIKeyMDOQZWTVCRTCND-PKNBQFBNSA-N
XLogP2.36
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-(2-iminocyclohexyl)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

Frequently Asked Questions

What is the IUPAC name of 1-(2-iminocyclohexyl)butan-1-ol?
The IUPAC name of 1-(2-iminocyclohexyl)butan-1-ol (CID 67882696) is 1-(2-iminocyclohexyl)butan-1-ol.
What is the SMILES notation for 1-(2-iminocyclohexyl)butan-1-ol?
The canonical SMILES for 1-(2-iminocyclohexyl)butan-1-ol is [H]/N=C1\CCCCC1C(O)CCC.
What is the InChIKey of 1-(2-iminocyclohexyl)butan-1-ol?
The InChIKey is MDOQZWTVCRTCND-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H19NO/c1-2-5-10(12)8-6-3-4-7-9(8)11/h8,10-12H,2-7H2,1H3/b11-9+.
What are the key properties of 1-(2-iminocyclohexyl)butan-1-ol?
1-(2-iminocyclohexyl)butan-1-ol has a molecular weight of 169.27 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-iminocyclohexyl)butan-1-ol is sourced from PubChem (CID 67882696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).