(Z)-N-methoxy-5-methyl-2-propan-2-ylcyclohexan-1-imine

C11H21NO — CID 5372609

IUPAC(Z)-N-methoxy-5-methyl-2-propan-2-ylcyclohexan-1-imine
SMILESCO/N=C1/CC(C)CCC1C(C)C
InChIInChI=1S/C11H21NO/c1-8(2)10-6-5-9(3)7-11(10)12-13-4/h8-10H,5-7H2,1-4H3/b12-11-
InChIKeyXVGYFVQATJHGNU-QXMHVHEDSA-N
MW183.29 g/mol
LogP3.08
Rot. Bonds2

About (Z)-N-methoxy-5-methyl-2-propan-2-ylcyclohexan-1-imine

(Z)-N-methoxy-5-methyl-2-propan-2-ylcyclohexan-1-imine (PubChem CID 5372609) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is (Z)-N-methoxy-5-methyl-2-propan-2-ylcyclohexan-1-imine.

Molecular Properties

Compound Name(Z)-N-methoxy-5-methyl-2-propan-2-ylcyclohexan-1-imine
PubChem CID5372609
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name(Z)-N-methoxy-5-methyl-2-propan-2-ylcyclohexan-1-imine
SMILESCO/N=C1/CC(C)CCC1C(C)C
InChIInChI=1S/C11H21NO/c1-8(2)10-6-5-9(3)7-11(10)12-13-4/h8-10H,5-7H2,1-4H3/b12-11-
InChIKeyXVGYFVQATJHGNU-QXMHVHEDSA-N
XLogP3.08
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 53.08
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)-N-methoxy-5-methyl-2-propan-2-ylcyclohexan-1-imine?
The IUPAC name of (Z)-N-methoxy-5-methyl-2-propan-2-ylcyclohexan-1-imine (CID 5372609) is (Z)-N-methoxy-5-methyl-2-propan-2-ylcyclohexan-1-imine.
What is the SMILES notation for (Z)-N-methoxy-5-methyl-2-propan-2-ylcyclohexan-1-imine?
The canonical SMILES for (Z)-N-methoxy-5-methyl-2-propan-2-ylcyclohexan-1-imine is CO/N=C1/CC(C)CCC1C(C)C.
What is the InChIKey of (Z)-N-methoxy-5-methyl-2-propan-2-ylcyclohexan-1-imine?
The InChIKey is XVGYFVQATJHGNU-QXMHVHEDSA-N. The full InChI is InChI=1S/C11H21NO/c1-8(2)10-6-5-9(3)7-11(10)12-13-4/h8-10H,5-7H2,1-4H3/b12-11-.
What are the key properties of (Z)-N-methoxy-5-methyl-2-propan-2-ylcyclohexan-1-imine?
(Z)-N-methoxy-5-methyl-2-propan-2-ylcyclohexan-1-imine has a molecular weight of 183.29 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methoxy-5-methyl-2-propan-2-ylcyclohexan-1-imine is sourced from PubChem (CID 5372609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).