N-cyclohexyloxy-3-methylcyclobutan-1-imine

C11H19NO — CID 126993438

IUPACN-cyclohexyloxy-3-methylcyclobutan-1-imine
SMILESCC1CC(=NOC2CCCCC2)C1
InChIInChI=1S/C11H19NO/c1-9-7-10(8-9)12-13-11-5-3-2-4-6-11/h9,11H,2-8H2,1H3/b12-10-
InChIKeyVFUMSMVXKWDKOE-BENRWUELSA-N
MW181.28 g/mol
LogP3.12
Rot. Bonds2

About N-cyclohexyloxy-3-methylcyclobutan-1-imine

N-cyclohexyloxy-3-methylcyclobutan-1-imine (PubChem CID 126993438) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is N-cyclohexyloxy-3-methylcyclobutan-1-imine.

Molecular Properties

Compound NameN-cyclohexyloxy-3-methylcyclobutan-1-imine
PubChem CID126993438
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC NameN-cyclohexyloxy-3-methylcyclobutan-1-imine
SMILESCC1CC(=NOC2CCCCC2)C1
InChIInChI=1S/C11H19NO/c1-9-7-10(8-9)12-13-11-5-3-2-4-6-11/h9,11H,2-8H2,1H3/b12-10-
InChIKeyVFUMSMVXKWDKOE-BENRWUELSA-N
XLogP3.12
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 53.12
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 N-cyclohexyloxy-3-methylcyclobutan-1-imine?
The IUPAC name of N-cyclohexyloxy-3-methylcyclobutan-1-imine (CID 126993438) is N-cyclohexyloxy-3-methylcyclobutan-1-imine.
What is the SMILES notation for N-cyclohexyloxy-3-methylcyclobutan-1-imine?
The canonical SMILES for N-cyclohexyloxy-3-methylcyclobutan-1-imine is CC1CC(=NOC2CCCCC2)C1.
What is the InChIKey of N-cyclohexyloxy-3-methylcyclobutan-1-imine?
The InChIKey is VFUMSMVXKWDKOE-BENRWUELSA-N. The full InChI is InChI=1S/C11H19NO/c1-9-7-10(8-9)12-13-11-5-3-2-4-6-11/h9,11H,2-8H2,1H3/b12-10-.
What are the key properties of N-cyclohexyloxy-3-methylcyclobutan-1-imine?
N-cyclohexyloxy-3-methylcyclobutan-1-imine has a molecular weight of 181.28 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyloxy-3-methylcyclobutan-1-imine is sourced from PubChem (CID 126993438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).