N-cyclohexylbicyclo[2.2.1]hept-5-en-2-imine

C13H19N — CID 141090948

IUPACN-cyclohexylbicyclo[2.2.1]hept-5-en-2-imine
SMILESC1=CC2CC1C/C2=N\C1CCCCC1
InChIInChI=1S/C13H19N/c1-2-4-12(5-3-1)14-13-9-10-6-7-11(13)8-10/h6-7,10-12H,1-5,8-9H2/b14-13+
InChIKeyCEFWQMNDALJMEH-BUHFOSPRSA-N
MW189.30 g/mol
LogP3.36
Rot. Bonds1

About N-cyclohexylbicyclo[2.2.1]hept-5-en-2-imine

N-cyclohexylbicyclo[2.2.1]hept-5-en-2-imine (PubChem CID 141090948) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is N-cyclohexylbicyclo[2.2.1]hept-5-en-2-imine.

Molecular Properties

Compound NameN-cyclohexylbicyclo[2.2.1]hept-5-en-2-imine
PubChem CID141090948
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC NameN-cyclohexylbicyclo[2.2.1]hept-5-en-2-imine
SMILESC1=CC2CC1C/C2=N\C1CCCCC1
InChIInChI=1S/C13H19N/c1-2-4-12(5-3-1)14-13-9-10-6-7-11(13)8-10/h6-7,10-12H,1-5,8-9H2/b14-13+
InChIKeyCEFWQMNDALJMEH-BUHFOSPRSA-N
XLogP3.36
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.36
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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Related Compounds

(4S)-bicyclo[2.2.1]hept-5-en-2-one
CID 139246523
(19Z)-bicyclo[9.7.2]icos-19-ene
CID 177397060
bicyclo[2.2.1]hept-5-en-2-one;ethene
CID 67271465
1-[(Z)-[(1R,4S)-2-bicyclo[2.2.1]hept-5-enylidene]methyl]piperidine
CID 124659798
3-(2-bicyclo[2.2.1]hept-5-enylidene)bicyclo[2.2.1]heptan-2-one
CID 117070196
1-[(E)-[(1R,4S)-2-bicyclo[2.2.1]hept-5-enylidene]methyl]piperidine
CID 124659802
N-cyclohexyl-2-phenylcyclobutan-1-imine
CID 102179459
N-cyclohexylcyclododecanimine
CID 12713305
N-cyclohexyl-2-trimethylsilylsulfanylcycloheptan-1-imine
CID 140768335
bicyclo[5.2.2]undec-8-ene
CID 71397836
5-(bromomethylidene)bicyclo[2.2.1]hept-2-ene
CID 165356255
2-cyclohexyliminocyclohexan-1-one
CID 154158221

Frequently Asked Questions

What is the IUPAC name of N-cyclohexylbicyclo[2.2.1]hept-5-en-2-imine?
The IUPAC name of N-cyclohexylbicyclo[2.2.1]hept-5-en-2-imine (CID 141090948) is N-cyclohexylbicyclo[2.2.1]hept-5-en-2-imine.
What is the SMILES notation for N-cyclohexylbicyclo[2.2.1]hept-5-en-2-imine?
The canonical SMILES for N-cyclohexylbicyclo[2.2.1]hept-5-en-2-imine is C1=CC2CC1C/C2=N\C1CCCCC1.
What is the InChIKey of N-cyclohexylbicyclo[2.2.1]hept-5-en-2-imine?
The InChIKey is CEFWQMNDALJMEH-BUHFOSPRSA-N. The full InChI is InChI=1S/C13H19N/c1-2-4-12(5-3-1)14-13-9-10-6-7-11(13)8-10/h6-7,10-12H,1-5,8-9H2/b14-13+.
What are the key properties of N-cyclohexylbicyclo[2.2.1]hept-5-en-2-imine?
N-cyclohexylbicyclo[2.2.1]hept-5-en-2-imine has a molecular weight of 189.30 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexylbicyclo[2.2.1]hept-5-en-2-imine is sourced from PubChem (CID 141090948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).