N-cyclohexylcyclohex-2-en-1-imine oxide

C12H19NO — CID 44520122

IUPACN-cyclohexylcyclohex-2-en-1-imine oxide
SMILES[O-]/[N+](=C1/C=CCCC1)C1CCCCC1
InChIInChI=1S/C12H19NO/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h3,7,12H,1-2,4-6,8-10H2/b13-11-
InChIKeyMYMCOZCGRMBPSB-QBFSEMIESA-N
MW193.29 g/mol
LogP3.01
Rot. Bonds1

About N-cyclohexylcyclohex-2-en-1-imine oxide

N-cyclohexylcyclohex-2-en-1-imine oxide (PubChem CID 44520122) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is N-cyclohexylcyclohex-2-en-1-imine oxide.

Molecular Properties

Compound NameN-cyclohexylcyclohex-2-en-1-imine oxide
PubChem CID44520122
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC NameN-cyclohexylcyclohex-2-en-1-imine oxide
SMILES[O-]/[N+](=C1/C=CCCC1)C1CCCCC1
InChIInChI=1S/C12H19NO/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h3,7,12H,1-2,4-6,8-10H2/b13-11-
InChIKeyMYMCOZCGRMBPSB-QBFSEMIESA-N
XLogP3.01
TPSA26.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

N-hexylcyclohex-2-en-1-imine oxide
CID 44519933
N-cyclohexylhex-5-en-2-imine oxide
CID 44519936
N-cyclohexyl-4-methylpent-3-en-2-imine oxide
CID 134998216
N-(Cyclohex-2-en-1-yl)cyclohexanimine
CID 13272647
N-cyclohexylcyclohex-2-en-1-imine
CID 66728093
N-cyclohexylcyclohex-2-en-1-imine oxide
CID 5374503
N-cyclohexyl-4-methylpent-3-en-2-imine oxide
CID 44520123

Frequently Asked Questions

What is the IUPAC name of N-cyclohexylcyclohex-2-en-1-imine oxide?
The IUPAC name of N-cyclohexylcyclohex-2-en-1-imine oxide (CID 44520122) is N-cyclohexylcyclohex-2-en-1-imine oxide.
What is the SMILES notation for N-cyclohexylcyclohex-2-en-1-imine oxide?
The canonical SMILES for N-cyclohexylcyclohex-2-en-1-imine oxide is [O-]/[N+](=C1/C=CCCC1)C1CCCCC1.
What is the InChIKey of N-cyclohexylcyclohex-2-en-1-imine oxide?
The InChIKey is MYMCOZCGRMBPSB-QBFSEMIESA-N. The full InChI is InChI=1S/C12H19NO/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h3,7,12H,1-2,4-6,8-10H2/b13-11-.
What are the key properties of N-cyclohexylcyclohex-2-en-1-imine oxide?
N-cyclohexylcyclohex-2-en-1-imine oxide has a molecular weight of 193.29 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexylcyclohex-2-en-1-imine oxide is sourced from PubChem (CID 44520122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).