(Z,2R)-N-ethoxy-2-methylcyclohexan-1-imine

C9H17NO — CID 125476420

IUPAC(Z,2R)-N-ethoxy-2-methylcyclohexan-1-imine
SMILESCCO/N=C1/CCCC[C@H]1C
InChIInChI=1S/C9H17NO/c1-3-11-10-9-7-5-4-6-8(9)2/h8H,3-7H2,1-2H3/b10-9-/t8-/m1/s1
InChIKeyGGQKFLMCEPFDOT-SREPSJJZSA-N
MW155.24 g/mol
LogP2.59
Rot. Bonds2

About (Z,2R)-N-ethoxy-2-methylcyclohexan-1-imine

(Z,2R)-N-ethoxy-2-methylcyclohexan-1-imine (PubChem CID 125476420) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (Z,2R)-N-ethoxy-2-methylcyclohexan-1-imine.

Molecular Properties

Compound Name(Z,2R)-N-ethoxy-2-methylcyclohexan-1-imine
PubChem CID125476420
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(Z,2R)-N-ethoxy-2-methylcyclohexan-1-imine
SMILESCCO/N=C1/CCCC[C@H]1C
InChIInChI=1S/C9H17NO/c1-3-11-10-9-7-5-4-6-8(9)2/h8H,3-7H2,1-2H3/b10-9-/t8-/m1/s1
InChIKeyGGQKFLMCEPFDOT-SREPSJJZSA-N
XLogP2.59
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 52.59
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,2R)-N-ethoxy-2-methylcyclohexan-1-imine?
The IUPAC name of (Z,2R)-N-ethoxy-2-methylcyclohexan-1-imine (CID 125476420) is (Z,2R)-N-ethoxy-2-methylcyclohexan-1-imine.
What is the SMILES notation for (Z,2R)-N-ethoxy-2-methylcyclohexan-1-imine?
The canonical SMILES for (Z,2R)-N-ethoxy-2-methylcyclohexan-1-imine is CCO/N=C1/CCCC[C@H]1C.
What is the InChIKey of (Z,2R)-N-ethoxy-2-methylcyclohexan-1-imine?
The InChIKey is GGQKFLMCEPFDOT-SREPSJJZSA-N. The full InChI is InChI=1S/C9H17NO/c1-3-11-10-9-7-5-4-6-8(9)2/h8H,3-7H2,1-2H3/b10-9-/t8-/m1/s1.
What are the key properties of (Z,2R)-N-ethoxy-2-methylcyclohexan-1-imine?
(Z,2R)-N-ethoxy-2-methylcyclohexan-1-imine has a molecular weight of 155.24 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2R)-N-ethoxy-2-methylcyclohexan-1-imine is sourced from PubChem (CID 125476420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).