N-cyclohexyl-2-methylbut-1-en-1-imine

C11H19N — CID 12951386

IUPACN-cyclohexyl-2-methylbut-1-en-1-imine
SMILESCCC(C)=C=NC1CCCCC1
InChIInChI=1S/C11H19N/c1-3-10(2)9-12-11-7-5-4-6-8-11/h11H,3-8H2,1-2H3
InChIKeyOQEOEXXZAONCCX-UHFFFAOYSA-N
MW165.28 g/mol
LogP3.35
Rot. Bonds2

About N-cyclohexyl-2-methylbut-1-en-1-imine

N-cyclohexyl-2-methylbut-1-en-1-imine (PubChem CID 12951386) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is N-cyclohexyl-2-methylbut-1-en-1-imine.

Molecular Properties

Compound NameN-cyclohexyl-2-methylbut-1-en-1-imine
PubChem CID12951386
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC NameN-cyclohexyl-2-methylbut-1-en-1-imine
SMILESCCC(C)=C=NC1CCCCC1
InChIInChI=1S/C11H19N/c1-3-10(2)9-12-11-7-5-4-6-8-11/h11H,3-8H2,1-2H3
InChIKeyOQEOEXXZAONCCX-UHFFFAOYSA-N
XLogP3.35
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.35
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

N-cyclohexyl-2-methylprop-1-en-1-imine
CID 12248009
2-ethyl-N-propan-2-ylbut-1-en-1-imine
CID 12454908
Cyclohexylamine, dimer
CID 409897
2-ethyl-N-pentan-3-ylpent-1-en-1-imine
CID 123829792
N-cyclohexylbut-1-en-1-imine
CID 139667678
N-cyclohexylhepta-1,2-dien-1-imine
CID 140968843
2,5-dimethyl-3,4-dihydro-2H-pyridine
CID 163937045

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-methylbut-1-en-1-imine?
The IUPAC name of N-cyclohexyl-2-methylbut-1-en-1-imine (CID 12951386) is N-cyclohexyl-2-methylbut-1-en-1-imine.
What is the SMILES notation for N-cyclohexyl-2-methylbut-1-en-1-imine?
The canonical SMILES for N-cyclohexyl-2-methylbut-1-en-1-imine is CCC(C)=C=NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-methylbut-1-en-1-imine?
The InChIKey is OQEOEXXZAONCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-3-10(2)9-12-11-7-5-4-6-8-11/h11H,3-8H2,1-2H3.
What are the key properties of N-cyclohexyl-2-methylbut-1-en-1-imine?
N-cyclohexyl-2-methylbut-1-en-1-imine has a molecular weight of 165.28 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-methylbut-1-en-1-imine is sourced from PubChem (CID 12951386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).