(Z,2R)-2-methyl-N-(2-methylpropoxy)cyclohexan-1-imine

C11H21NO — CID 125476424

IUPAC(Z,2R)-2-methyl-N-(2-methylpropoxy)cyclohexan-1-imine
SMILESCC(C)CO/N=C1/CCCC[C@H]1C
InChIInChI=1S/C11H21NO/c1-9(2)8-13-12-11-7-5-4-6-10(11)3/h9-10H,4-8H2,1-3H3/b12-11-/t10-/m1/s1
InChIKeyHHYPTZHPRVKJQU-ZOAHYWAASA-N
MW183.29 g/mol
LogP3.23
Rot. Bonds3

About (Z,2R)-2-methyl-N-(2-methylpropoxy)cyclohexan-1-imine

(Z,2R)-2-methyl-N-(2-methylpropoxy)cyclohexan-1-imine (PubChem CID 125476424) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is (Z,2R)-2-methyl-N-(2-methylpropoxy)cyclohexan-1-imine.

Molecular Properties

Compound Name(Z,2R)-2-methyl-N-(2-methylpropoxy)cyclohexan-1-imine
PubChem CID125476424
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name(Z,2R)-2-methyl-N-(2-methylpropoxy)cyclohexan-1-imine
SMILESCC(C)CO/N=C1/CCCC[C@H]1C
InChIInChI=1S/C11H21NO/c1-9(2)8-13-12-11-7-5-4-6-10(11)3/h9-10H,4-8H2,1-3H3/b12-11-/t10-/m1/s1
InChIKeyHHYPTZHPRVKJQU-ZOAHYWAASA-N
XLogP3.23
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 53.23
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)-2-methyl-N-(2-methylpropoxy)cyclohexan-1-imine?
The IUPAC name of (Z,2R)-2-methyl-N-(2-methylpropoxy)cyclohexan-1-imine (CID 125476424) is (Z,2R)-2-methyl-N-(2-methylpropoxy)cyclohexan-1-imine.
What is the SMILES notation for (Z,2R)-2-methyl-N-(2-methylpropoxy)cyclohexan-1-imine?
The canonical SMILES for (Z,2R)-2-methyl-N-(2-methylpropoxy)cyclohexan-1-imine is CC(C)CO/N=C1/CCCC[C@H]1C.
What is the InChIKey of (Z,2R)-2-methyl-N-(2-methylpropoxy)cyclohexan-1-imine?
The InChIKey is HHYPTZHPRVKJQU-ZOAHYWAASA-N. The full InChI is InChI=1S/C11H21NO/c1-9(2)8-13-12-11-7-5-4-6-10(11)3/h9-10H,4-8H2,1-3H3/b12-11-/t10-/m1/s1.
What are the key properties of (Z,2R)-2-methyl-N-(2-methylpropoxy)cyclohexan-1-imine?
(Z,2R)-2-methyl-N-(2-methylpropoxy)cyclohexan-1-imine has a molecular weight of 183.29 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2R)-2-methyl-N-(2-methylpropoxy)cyclohexan-1-imine is sourced from PubChem (CID 125476424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).