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

C13H25NO — CID 59351000

IUPAC(Z)-1-cyclohexyl-N-methoxy-3,3-dimethylbutan-1-imine
SMILESCO/N=C(/CC(C)(C)C)C1CCCCC1
InChIInChI=1S/C13H25NO/c1-13(2,3)10-12(14-15-4)11-8-6-5-7-9-11/h11H,5-10H2,1-4H3/b14-12-
InChIKeyVRDLCJBGCPKHJE-OWBHPGMISA-N
MW211.35 g/mol
LogP4.01
Rot. Bonds3

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

(Z)-1-cyclohexyl-N-methoxy-3,3-dimethylbutan-1-imine (PubChem CID 59351000) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is (Z)-1-cyclohexyl-N-methoxy-3,3-dimethylbutan-1-imine.

Molecular Properties

Compound Name(Z)-1-cyclohexyl-N-methoxy-3,3-dimethylbutan-1-imine
PubChem CID59351000
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name(Z)-1-cyclohexyl-N-methoxy-3,3-dimethylbutan-1-imine
SMILESCO/N=C(/CC(C)(C)C)C1CCCCC1
InChIInChI=1S/C13H25NO/c1-13(2,3)10-12(14-15-4)11-8-6-5-7-9-11/h11H,5-10H2,1-4H3/b14-12-
InChIKeyVRDLCJBGCPKHJE-OWBHPGMISA-N
XLogP4.01
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 54.01
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'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-cyclohexyl-N-methoxy-3,3-dimethylbutan-1-imine?
The IUPAC name of (Z)-1-cyclohexyl-N-methoxy-3,3-dimethylbutan-1-imine (CID 59351000) is (Z)-1-cyclohexyl-N-methoxy-3,3-dimethylbutan-1-imine.
What is the SMILES notation for (Z)-1-cyclohexyl-N-methoxy-3,3-dimethylbutan-1-imine?
The canonical SMILES for (Z)-1-cyclohexyl-N-methoxy-3,3-dimethylbutan-1-imine is CO/N=C(/CC(C)(C)C)C1CCCCC1.
What is the InChIKey of (Z)-1-cyclohexyl-N-methoxy-3,3-dimethylbutan-1-imine?
The InChIKey is VRDLCJBGCPKHJE-OWBHPGMISA-N. The full InChI is InChI=1S/C13H25NO/c1-13(2,3)10-12(14-15-4)11-8-6-5-7-9-11/h11H,5-10H2,1-4H3/b14-12-.
What are the key properties of (Z)-1-cyclohexyl-N-methoxy-3,3-dimethylbutan-1-imine?
(Z)-1-cyclohexyl-N-methoxy-3,3-dimethylbutan-1-imine has a molecular weight of 211.35 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-cyclohexyl-N-methoxy-3,3-dimethylbutan-1-imine is sourced from PubChem (CID 59351000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).