N-cyclohexylbicyclo[4.1.0]hept-3-en-2-imine

C13H19N — CID 143478088

IUPACN-cyclohexylbicyclo[4.1.0]hept-3-en-2-imine
SMILESC1=C/C(=N\C2CCCCC2)C2CC2C1
InChIInChI=1S/C13H19N/c1-2-6-11(7-3-1)14-13-8-4-5-10-9-12(10)13/h4,8,10-12H,1-3,5-7,9H2/b14-13+
InChIKeyPZMMZJZLDKUYPK-BUHFOSPRSA-N
MW189.30 g/mol
LogP3.36
Rot. Bonds1

About N-cyclohexylbicyclo[4.1.0]hept-3-en-2-imine

N-cyclohexylbicyclo[4.1.0]hept-3-en-2-imine (PubChem CID 143478088) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is N-cyclohexylbicyclo[4.1.0]hept-3-en-2-imine.

Molecular Properties

Compound NameN-cyclohexylbicyclo[4.1.0]hept-3-en-2-imine
PubChem CID143478088
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC NameN-cyclohexylbicyclo[4.1.0]hept-3-en-2-imine
SMILESC1=C/C(=N\C2CCCCC2)C2CC2C1
InChIInChI=1S/C13H19N/c1-2-6-11(7-3-1)14-13-8-4-5-10-9-12(10)13/h4,8,10-12H,1-3,5-7,9H2/b14-13+
InChIKeyPZMMZJZLDKUYPK-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'}

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Related Compounds

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6-Cyclohept-4-en-1-yl-2,3,4,5-tetrahydropyridine
CID 53724743
3,4,5,5a,6,7-hexahydro-2H-1-benzazepine
CID 54448426
2,3,4,4a,5,8-Hexahydroquinoline
CID 57072516
3,4,5,5a,6,9-hexahydro-2H-1-benzazepine
CID 57190739
(4aS)-2-methyl-2,3,4,4a,5,6-hexahydroquinoline
CID 67595251
2-Cyclopropyl-6-methyl-2,3,4,4a,5,6-hexahydroquinoline
CID 91494112
5-ethyl-7-methyl-N-pentylcyclohept-2-en-1-imine
CID 123403001
3-(Cyclopropylmethyl)-2,5,6-trimethyl-2,3-dihydropyridine
CID 123785069
2-Propan-2-yl-4a,5,6,7,8,8a-hexahydroquinoline
CID 134228469
N-cyclohexylbicyclo[4.1.0]hept-3-en-2-imine;N-methylpropan-2-amine
CID 143478087

Frequently Asked Questions

What is the IUPAC name of N-cyclohexylbicyclo[4.1.0]hept-3-en-2-imine?
The IUPAC name of N-cyclohexylbicyclo[4.1.0]hept-3-en-2-imine (CID 143478088) is N-cyclohexylbicyclo[4.1.0]hept-3-en-2-imine.
What is the SMILES notation for N-cyclohexylbicyclo[4.1.0]hept-3-en-2-imine?
The canonical SMILES for N-cyclohexylbicyclo[4.1.0]hept-3-en-2-imine is C1=C/C(=N\C2CCCCC2)C2CC2C1.
What is the InChIKey of N-cyclohexylbicyclo[4.1.0]hept-3-en-2-imine?
The InChIKey is PZMMZJZLDKUYPK-BUHFOSPRSA-N. The full InChI is InChI=1S/C13H19N/c1-2-6-11(7-3-1)14-13-8-4-5-10-9-12(10)13/h4,8,10-12H,1-3,5-7,9H2/b14-13+.
What are the key properties of N-cyclohexylbicyclo[4.1.0]hept-3-en-2-imine?
N-cyclohexylbicyclo[4.1.0]hept-3-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[4.1.0]hept-3-en-2-imine is sourced from PubChem (CID 143478088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).