(Z)-1-cyclopentyl-N-methoxy-3,3-dimethylbutan-1-imine

C12H23NO — CID 59350981

IUPAC(Z)-1-cyclopentyl-N-methoxy-3,3-dimethylbutan-1-imine
SMILESCO/N=C(/CC(C)(C)C)C1CCCC1
InChIInChI=1S/C12H23NO/c1-12(2,3)9-11(13-14-4)10-7-5-6-8-10/h10H,5-9H2,1-4H3/b13-11-
InChIKeyMQRDUMRMGLYUPK-QBFSEMIESA-N
MW197.32 g/mol
LogP3.62
Rot. Bonds3

About (Z)-1-cyclopentyl-N-methoxy-3,3-dimethylbutan-1-imine

(Z)-1-cyclopentyl-N-methoxy-3,3-dimethylbutan-1-imine (PubChem CID 59350981) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is (Z)-1-cyclopentyl-N-methoxy-3,3-dimethylbutan-1-imine.

Molecular Properties

Compound Name(Z)-1-cyclopentyl-N-methoxy-3,3-dimethylbutan-1-imine
PubChem CID59350981
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name(Z)-1-cyclopentyl-N-methoxy-3,3-dimethylbutan-1-imine
SMILESCO/N=C(/CC(C)(C)C)C1CCCC1
InChIInChI=1S/C12H23NO/c1-12(2,3)9-11(13-14-4)10-7-5-6-8-10/h10H,5-9H2,1-4H3/b13-11-
InChIKeyMQRDUMRMGLYUPK-QBFSEMIESA-N
XLogP3.62
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 53.62
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)-1-cyclopentyl-N-methoxy-3,3-dimethylbutan-1-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)-1-cyclopentyl-N-methoxy-3,3-dimethylbutan-1-imine?
The IUPAC name of (Z)-1-cyclopentyl-N-methoxy-3,3-dimethylbutan-1-imine (CID 59350981) is (Z)-1-cyclopentyl-N-methoxy-3,3-dimethylbutan-1-imine.
What is the SMILES notation for (Z)-1-cyclopentyl-N-methoxy-3,3-dimethylbutan-1-imine?
The canonical SMILES for (Z)-1-cyclopentyl-N-methoxy-3,3-dimethylbutan-1-imine is CO/N=C(/CC(C)(C)C)C1CCCC1.
What is the InChIKey of (Z)-1-cyclopentyl-N-methoxy-3,3-dimethylbutan-1-imine?
The InChIKey is MQRDUMRMGLYUPK-QBFSEMIESA-N. The full InChI is InChI=1S/C12H23NO/c1-12(2,3)9-11(13-14-4)10-7-5-6-8-10/h10H,5-9H2,1-4H3/b13-11-.
What are the key properties of (Z)-1-cyclopentyl-N-methoxy-3,3-dimethylbutan-1-imine?
(Z)-1-cyclopentyl-N-methoxy-3,3-dimethylbutan-1-imine has a molecular weight of 197.32 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-cyclopentyl-N-methoxy-3,3-dimethylbutan-1-imine is sourced from PubChem (CID 59350981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).