(Z)-N-methoxy-4,4-dimethylpentan-2-imine

C8H17NO — CID 59350964

IUPAC(Z)-N-methoxy-4,4-dimethylpentan-2-imine
SMILESCO/N=C(/C)CC(C)(C)C
InChIInChI=1S/C8H17NO/c1-7(9-10-5)6-8(2,3)4/h6H2,1-5H3/b9-7-
InChIKeyNEHZTIOKHWNKNM-CLFYSBASSA-N
MW143.23 g/mol
LogP2.44
Rot. Bonds2

About (Z)-N-methoxy-4,4-dimethylpentan-2-imine

(Z)-N-methoxy-4,4-dimethylpentan-2-imine (PubChem CID 59350964) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is (Z)-N-methoxy-4,4-dimethylpentan-2-imine.

Molecular Properties

Compound Name(Z)-N-methoxy-4,4-dimethylpentan-2-imine
PubChem CID59350964
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name(Z)-N-methoxy-4,4-dimethylpentan-2-imine
SMILESCO/N=C(/C)CC(C)(C)C
InChIInChI=1S/C8H17NO/c1-7(9-10-5)6-8(2,3)4/h6H2,1-5H3/b9-7-
InChIKeyNEHZTIOKHWNKNM-CLFYSBASSA-N
XLogP2.44
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-N-methoxy-4,4-dimethylpentan-2-imine 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 (Z)-N-methoxy-4,4-dimethylpentan-2-imine?
The IUPAC name of (Z)-N-methoxy-4,4-dimethylpentan-2-imine (CID 59350964) is (Z)-N-methoxy-4,4-dimethylpentan-2-imine.
What is the SMILES notation for (Z)-N-methoxy-4,4-dimethylpentan-2-imine?
The canonical SMILES for (Z)-N-methoxy-4,4-dimethylpentan-2-imine is CO/N=C(/C)CC(C)(C)C.
What is the InChIKey of (Z)-N-methoxy-4,4-dimethylpentan-2-imine?
The InChIKey is NEHZTIOKHWNKNM-CLFYSBASSA-N. The full InChI is InChI=1S/C8H17NO/c1-7(9-10-5)6-8(2,3)4/h6H2,1-5H3/b9-7-.
What are the key properties of (Z)-N-methoxy-4,4-dimethylpentan-2-imine?
(Z)-N-methoxy-4,4-dimethylpentan-2-imine has a molecular weight of 143.23 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methoxy-4,4-dimethylpentan-2-imine is sourced from PubChem (CID 59350964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).