4-imino-2-methylhexan-2-ol

C7H15NO — CID 174678205

IUPAC4-imino-2-methylhexan-2-ol
SMILES[H]/N=C(\CC)CC(C)(C)O
InChIInChI=1S/C7H15NO/c1-4-6(8)5-7(2,3)9/h8-9H,4-5H2,1-3H3/b8-6+
InChIKeyVJMRLLOWVQOVOR-SOFGYWHQSA-N
MW129.20 g/mol
LogP1.58
Rot. Bonds3

About 4-imino-2-methylhexan-2-ol

4-imino-2-methylhexan-2-ol (PubChem CID 174678205) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 4-imino-2-methylhexan-2-ol.

Molecular Properties

Compound Name4-imino-2-methylhexan-2-ol
PubChem CID174678205
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name4-imino-2-methylhexan-2-ol
SMILES[H]/N=C(\CC)CC(C)(C)O
InChIInChI=1S/C7H15NO/c1-4-6(8)5-7(2,3)9/h8-9H,4-5H2,1-3H3/b8-6+
InChIKeyVJMRLLOWVQOVOR-SOFGYWHQSA-N
XLogP1.58
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-imino-2-methylhexan-2-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 4-imino-2-methylhexan-2-ol?
The IUPAC name of 4-imino-2-methylhexan-2-ol (CID 174678205) is 4-imino-2-methylhexan-2-ol.
What is the SMILES notation for 4-imino-2-methylhexan-2-ol?
The canonical SMILES for 4-imino-2-methylhexan-2-ol is [H]/N=C(\CC)CC(C)(C)O.
What is the InChIKey of 4-imino-2-methylhexan-2-ol?
The InChIKey is VJMRLLOWVQOVOR-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H15NO/c1-4-6(8)5-7(2,3)9/h8-9H,4-5H2,1-3H3/b8-6+.
What are the key properties of 4-imino-2-methylhexan-2-ol?
4-imino-2-methylhexan-2-ol has a molecular weight of 129.20 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imino-2-methylhexan-2-ol is sourced from PubChem (CID 174678205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).