5-imino-4-methylpentan-1-ol

C6H13NO — CID 54573572

IUPAC5-imino-4-methylpentan-1-ol
SMILES[H]/N=C/C(C)CCCO
InChIInChI=1S/C6H13NO/c1-6(5-7)3-2-4-8/h5-8H,2-4H2,1H3/b7-5+
InChIKeyZZABRWFEKOIZIE-FNORWQNLSA-N
MW115.18 g/mol
LogP1.04
Rot. Bonds4

About 5-imino-4-methylpentan-1-ol

5-imino-4-methylpentan-1-ol (PubChem CID 54573572) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is 5-imino-4-methylpentan-1-ol.

Molecular Properties

Compound Name5-imino-4-methylpentan-1-ol
PubChem CID54573572
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name5-imino-4-methylpentan-1-ol
SMILES[H]/N=C/C(C)CCCO
InChIInChI=1S/C6H13NO/c1-6(5-7)3-2-4-8/h5-8H,2-4H2,1H3/b7-5+
InChIKeyZZABRWFEKOIZIE-FNORWQNLSA-N
XLogP1.04
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-imino-4-methylpentan-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 5-imino-4-methylpentan-1-ol?
The IUPAC name of 5-imino-4-methylpentan-1-ol (CID 54573572) is 5-imino-4-methylpentan-1-ol.
What is the SMILES notation for 5-imino-4-methylpentan-1-ol?
The canonical SMILES for 5-imino-4-methylpentan-1-ol is [H]/N=C/C(C)CCCO.
What is the InChIKey of 5-imino-4-methylpentan-1-ol?
The InChIKey is ZZABRWFEKOIZIE-FNORWQNLSA-N. The full InChI is InChI=1S/C6H13NO/c1-6(5-7)3-2-4-8/h5-8H,2-4H2,1H3/b7-5+.
What are the key properties of 5-imino-4-methylpentan-1-ol?
5-imino-4-methylpentan-1-ol has a molecular weight of 115.18 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imino-4-methylpentan-1-ol is sourced from PubChem (CID 54573572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).