N-(2-methylpropoxy)cyclohexanimine

C10H19NO — CID 58362930

IUPACN-(2-methylpropoxy)cyclohexanimine
SMILESCC(C)CON=C1CCCCC1
InChIInChI=1S/C10H19NO/c1-9(2)8-12-11-10-6-4-3-5-7-10/h9H,3-8H2,1-2H3
InChIKeyVYUJYQVIZLOLGV-UHFFFAOYSA-N
MW169.27 g/mol
LogP2.98
Rot. Bonds3

About N-(2-methylpropoxy)cyclohexanimine

N-(2-methylpropoxy)cyclohexanimine (PubChem CID 58362930) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is N-(2-methylpropoxy)cyclohexanimine.

Molecular Properties

Compound NameN-(2-methylpropoxy)cyclohexanimine
PubChem CID58362930
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC NameN-(2-methylpropoxy)cyclohexanimine
SMILESCC(C)CON=C1CCCCC1
InChIInChI=1S/C10H19NO/c1-9(2)8-12-11-10-6-4-3-5-7-10/h9H,3-8H2,1-2H3
InChIKeyVYUJYQVIZLOLGV-UHFFFAOYSA-N
XLogP2.98
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.98
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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Related Compounds

Ethoxyimino-4-methylcyclohexan
CID 57973907
Cyclohexanone, O-ethyloxime
CID 574708
cyclohexanone O-(sec-butyl) oxime
CID 91826114
N-butoxycyclohexanimine
CID 12614250
N-propoxycyclohexanimine
CID 20494551
N-propan-2-yloxycyclohexanimine
CID 23466974
N-(2-methylpropoxy)butan-2-imine
CID 53815017
N-[(2-methylpropan-2-yl)oxy]cyclohexanimine
CID 53957123
N-(2-methylpropoxy)cyclopentanimine
CID 58363214
N-ethoxy-4-methylpentan-2-imine
CID 58970605
N-(3,3-dimethylbutoxy)cyclohexanimine
CID 59192970
N-ethoxyhexan-2-imine
CID 86028505

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropoxy)cyclohexanimine?
The IUPAC name of N-(2-methylpropoxy)cyclohexanimine (CID 58362930) is N-(2-methylpropoxy)cyclohexanimine.
What is the SMILES notation for N-(2-methylpropoxy)cyclohexanimine?
The canonical SMILES for N-(2-methylpropoxy)cyclohexanimine is CC(C)CON=C1CCCCC1.
What is the InChIKey of N-(2-methylpropoxy)cyclohexanimine?
The InChIKey is VYUJYQVIZLOLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-9(2)8-12-11-10-6-4-3-5-7-10/h9H,3-8H2,1-2H3.
What are the key properties of N-(2-methylpropoxy)cyclohexanimine?
N-(2-methylpropoxy)cyclohexanimine has a molecular weight of 169.27 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropoxy)cyclohexanimine is sourced from PubChem (CID 58362930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).