N-cyclohex-2-en-1-ylcyclohexanimine

C12H19N — CID 13272647

IUPACN-cyclohex-2-en-1-ylcyclohexanimine
SMILESC1=CC(N=C2CCCCC2)CCC1
InChIInChI=1S/C12H19N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h3,7,11H,1-2,4-6,8-10H2
InChIKeyXVUPAFDDMTWGPW-UHFFFAOYSA-N
MW177.29 g/mol
LogP3.50
Rot. Bonds1

About N-cyclohex-2-en-1-ylcyclohexanimine

N-cyclohex-2-en-1-ylcyclohexanimine (PubChem CID 13272647) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is N-cyclohex-2-en-1-ylcyclohexanimine.

Molecular Properties

Compound NameN-cyclohex-2-en-1-ylcyclohexanimine
PubChem CID13272647
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC NameN-cyclohex-2-en-1-ylcyclohexanimine
SMILESC1=CC(N=C2CCCCC2)CCC1
InChIInChI=1S/C12H19N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h3,7,11H,1-2,4-6,8-10H2
InChIKeyXVUPAFDDMTWGPW-UHFFFAOYSA-N
XLogP3.50
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclohex-2-en-1-ylcyclohexanimine?
The IUPAC name of N-cyclohex-2-en-1-ylcyclohexanimine (CID 13272647) is N-cyclohex-2-en-1-ylcyclohexanimine.
What is the SMILES notation for N-cyclohex-2-en-1-ylcyclohexanimine?
The canonical SMILES for N-cyclohex-2-en-1-ylcyclohexanimine is C1=CC(N=C2CCCCC2)CCC1.
What is the InChIKey of N-cyclohex-2-en-1-ylcyclohexanimine?
The InChIKey is XVUPAFDDMTWGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h3,7,11H,1-2,4-6,8-10H2.
What are the key properties of N-cyclohex-2-en-1-ylcyclohexanimine?
N-cyclohex-2-en-1-ylcyclohexanimine has a molecular weight of 177.29 g/mol, XLogP of 3.50, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohex-2-en-1-ylcyclohexanimine is sourced from PubChem (CID 13272647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).