4-methyl-6-methylidene-N-(2-methylprop-1-enyl)cyclohex-2-en-1-imine

C12H17N — CID 142069674

IUPAC4-methyl-6-methylidene-N-(2-methylprop-1-enyl)cyclohex-2-en-1-imine
SMILESC=C1CC(C)C=C/C1=N\C=C(C)C
InChIInChI=1S/C12H17N/c1-9(2)8-13-12-6-5-10(3)7-11(12)4/h5-6,8,10H,4,7H2,1-3H3/b13-12+
InChIKeyLGKPOOWMMPHRMS-OUKQBFOZSA-N
MW175.27 g/mol
LogP3.50
Rot. Bonds1

About 4-methyl-6-methylidene-N-(2-methylprop-1-enyl)cyclohex-2-en-1-imine

4-methyl-6-methylidene-N-(2-methylprop-1-enyl)cyclohex-2-en-1-imine (PubChem CID 142069674) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is 4-methyl-6-methylidene-N-(2-methylprop-1-enyl)cyclohex-2-en-1-imine.

Molecular Properties

Compound Name4-methyl-6-methylidene-N-(2-methylprop-1-enyl)cyclohex-2-en-1-imine
PubChem CID142069674
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC Name4-methyl-6-methylidene-N-(2-methylprop-1-enyl)cyclohex-2-en-1-imine
SMILESC=C1CC(C)C=C/C1=N\C=C(C)C
InChIInChI=1S/C12H17N/c1-9(2)8-13-12-6-5-10(3)7-11(12)4/h5-6,8,10H,4,7H2,1-3H3/b13-12+
InChIKeyLGKPOOWMMPHRMS-OUKQBFOZSA-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 ≤ 500175.27
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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Related Compounds

(5S)-5-methyl-2-prop-1-en-2-ylcyclohexa-1,3-dien-1-amine
CID 163504031
1,2-bis(ethenyl)-5-methylcyclohexa-1,3-diene
CID 145377797
ethane;N'-(2-methylprop-1-enyl)-2,6-dioxopiperidine-3-carboximidamide
CID 171565054
CID 89168186
CID 89168186
1,2-dibromo-5-methylcyclohexa-1,3-diene
CID 163708440
ethane;3-[C-ethenyl-N-(2-methylprop-1-enyl)carbonimidoyl]piperidine-2,6-dione
CID 177338978
5-methylidene-2-prop-1-en-2-ylcyclohexan-1-ol
CID 14867013
N-(2-methylbut-1-enyl)-6-methylidenecyclohexa-2,4-dien-1-imine
CID 123147504
(5R)-2-chloro-1,5-dimethylcyclohexa-1,3-diene
CID 130391076
(5S)-1-fluoro-2,5-dimethylcyclohexa-1,3-diene
CID 70325778
2,5,5,6,7,8,8-heptamethyl-1,2,6,7-tetrahydronaphthalene
CID 141114864
(3R)-3-[(2R)-6-methylhept-5-en-2-yl]-6-methylidenecyclohexene
CID 102426665

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-methylidene-N-(2-methylprop-1-enyl)cyclohex-2-en-1-imine?
The IUPAC name of 4-methyl-6-methylidene-N-(2-methylprop-1-enyl)cyclohex-2-en-1-imine (CID 142069674) is 4-methyl-6-methylidene-N-(2-methylprop-1-enyl)cyclohex-2-en-1-imine.
What is the SMILES notation for 4-methyl-6-methylidene-N-(2-methylprop-1-enyl)cyclohex-2-en-1-imine?
The canonical SMILES for 4-methyl-6-methylidene-N-(2-methylprop-1-enyl)cyclohex-2-en-1-imine is C=C1CC(C)C=C/C1=N\C=C(C)C.
What is the InChIKey of 4-methyl-6-methylidene-N-(2-methylprop-1-enyl)cyclohex-2-en-1-imine?
The InChIKey is LGKPOOWMMPHRMS-OUKQBFOZSA-N. The full InChI is InChI=1S/C12H17N/c1-9(2)8-13-12-6-5-10(3)7-11(12)4/h5-6,8,10H,4,7H2,1-3H3/b13-12+.
What are the key properties of 4-methyl-6-methylidene-N-(2-methylprop-1-enyl)cyclohex-2-en-1-imine?
4-methyl-6-methylidene-N-(2-methylprop-1-enyl)cyclohex-2-en-1-imine has a molecular weight of 175.27 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 4-methyl-6-methylidene-N-(2-methylprop-1-enyl)cyclohex-2-en-1-imine is sourced from PubChem (CID 142069674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).