N-(2-ethenyl-6-methyl-5-propan-2-ylcyclohexen-1-yl)methanimine

C13H21N — CID 145337848

IUPACN-(2-ethenyl-6-methyl-5-propan-2-ylcyclohexen-1-yl)methanimine
SMILESC=CC1=C(N=C)C(C)C(C(C)C)CC1
InChIInChI=1S/C13H21N/c1-6-11-7-8-12(9(2)3)10(4)13(11)14-5/h6,9-10,12H,1,5,7-8H2,2-4H3
InChIKeyNOEYTBJELJITEJ-UHFFFAOYSA-N
MW191.32 g/mol
LogP3.83
Rot. Bonds3

About N-(2-ethenyl-6-methyl-5-propan-2-ylcyclohexen-1-yl)methanimine

N-(2-ethenyl-6-methyl-5-propan-2-ylcyclohexen-1-yl)methanimine (PubChem CID 145337848) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is N-(2-ethenyl-6-methyl-5-propan-2-ylcyclohexen-1-yl)methanimine.

Molecular Properties

Compound NameN-(2-ethenyl-6-methyl-5-propan-2-ylcyclohexen-1-yl)methanimine
PubChem CID145337848
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC NameN-(2-ethenyl-6-methyl-5-propan-2-ylcyclohexen-1-yl)methanimine
SMILESC=CC1=C(N=C)C(C)C(C(C)C)CC1
InChIInChI=1S/C13H21N/c1-6-11-7-8-12(9(2)3)10(4)13(11)14-5/h6,9-10,12H,1,5,7-8H2,2-4H3
InChIKeyNOEYTBJELJITEJ-UHFFFAOYSA-N
XLogP3.83
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.83
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-[(6S)-2-[(E)-2-fluoroprop-1-enyl]-6-methylcyclohexen-1-yl]methanimine
CID 155019711
N-[(1E)-2-(difluoromethyl)-1-(4-methylcyclohexyl)buta-1,3-dienyl]methanimine
CID 176552929
N-[(4E)-4-ethyl-2,3-dimethylhepta-4,6-dien-2-yl]methanimine
CID 126591146
N-[(Z)-4-ethenyl-6-ethyldec-4-en-5-yl]methanimine
CID 130183308
N-[2-[(E)-oct-4-en-3-yl]cyclohexen-1-yl]methanimine
CID 130336680
N-[2-methyl-4-[(E)-4-methylhex-1-enyl]cyclohexa-1,3-dien-1-yl]methanimine
CID 132096041
N-[2-ethenyl-3-(2-methylpropyl)cyclohexa-1,5-dien-1-yl]methanimine
CID 134172267
N-[(4Z)-2,10-dimethylundeca-2,4-dien-5-yl]methanimine
CID 134302704
N-[(3E)-7-cyclobutyl-3-methylhepta-1,3-dien-4-yl]methanimine
CID 137419843
N-[2-(2-methylpentan-3-yl)cyclohexen-1-yl]methanimine
CID 138719356
ethane;N-(2-ethenylcyclohexen-1-yl)methanimine
CID 142183833
N-[(2Z,4Z)-6-ethyl-4-propan-2-ylnona-2,4-dien-5-yl]methanimine
CID 143173588

Frequently Asked Questions

What is the IUPAC name of N-(2-ethenyl-6-methyl-5-propan-2-ylcyclohexen-1-yl)methanimine?
The IUPAC name of N-(2-ethenyl-6-methyl-5-propan-2-ylcyclohexen-1-yl)methanimine (CID 145337848) is N-(2-ethenyl-6-methyl-5-propan-2-ylcyclohexen-1-yl)methanimine.
What is the SMILES notation for N-(2-ethenyl-6-methyl-5-propan-2-ylcyclohexen-1-yl)methanimine?
The canonical SMILES for N-(2-ethenyl-6-methyl-5-propan-2-ylcyclohexen-1-yl)methanimine is C=CC1=C(N=C)C(C)C(C(C)C)CC1.
What is the InChIKey of N-(2-ethenyl-6-methyl-5-propan-2-ylcyclohexen-1-yl)methanimine?
The InChIKey is NOEYTBJELJITEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-6-11-7-8-12(9(2)3)10(4)13(11)14-5/h6,9-10,12H,1,5,7-8H2,2-4H3.
What are the key properties of N-(2-ethenyl-6-methyl-5-propan-2-ylcyclohexen-1-yl)methanimine?
N-(2-ethenyl-6-methyl-5-propan-2-ylcyclohexen-1-yl)methanimine has a molecular weight of 191.32 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethenyl-6-methyl-5-propan-2-ylcyclohexen-1-yl)methanimine is sourced from PubChem (CID 145337848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).