N-cyclohexylcyclohex-2-en-1-imine

C12H19N — CID 66728093

IUPACN-cyclohexylcyclohex-2-en-1-imine
SMILESC1=C/C(=N\C2CCCCC2)CCC1
InChIInChI=1S/C12H19N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h3,7,12H,1-2,4-6,8-10H2/b13-11+
InChIKeyGEITZJXMOUHJCM-ACCUITESSA-N
MW177.29 g/mol
LogP3.50
Rot. Bonds1

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

N-cyclohexylcyclohex-2-en-1-imine (PubChem CID 66728093) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is N-cyclohexylcyclohex-2-en-1-imine.

Molecular Properties

Compound NameN-cyclohexylcyclohex-2-en-1-imine
PubChem CID66728093
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC NameN-cyclohexylcyclohex-2-en-1-imine
SMILESC1=C/C(=N\C2CCCCC2)CCC1
InChIInChI=1S/C12H19N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h3,7,12H,1-2,4-6,8-10H2/b13-11+
InChIKeyGEITZJXMOUHJCM-ACCUITESSA-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'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexylcyclohex-2-en-1-imine?
The IUPAC name of N-cyclohexylcyclohex-2-en-1-imine (CID 66728093) is N-cyclohexylcyclohex-2-en-1-imine.
What is the SMILES notation for N-cyclohexylcyclohex-2-en-1-imine?
The canonical SMILES for N-cyclohexylcyclohex-2-en-1-imine is C1=C/C(=N\C2CCCCC2)CCC1.
What is the InChIKey of N-cyclohexylcyclohex-2-en-1-imine?
The InChIKey is GEITZJXMOUHJCM-ACCUITESSA-N. The full InChI is InChI=1S/C12H19N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h3,7,12H,1-2,4-6,8-10H2/b13-11+.
What are the key properties of N-cyclohexylcyclohex-2-en-1-imine?
N-cyclohexylcyclohex-2-en-1-imine 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-cyclohexylcyclohex-2-en-1-imine is sourced from PubChem (CID 66728093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).