5-methylcyclohex-2-en-1-imine

C7H11N — CID 86188350

IUPAC5-methylcyclohex-2-en-1-imine
SMILES[H]/N=C1\C=CCC(C)C1
InChIInChI=1S/C7H11N/c1-6-3-2-4-7(8)5-6/h2,4,6,8H,3,5H2,1H3/b8-7+
InChIKeyADQOMGAGKCTZMS-BQYQJAHWSA-N
MW109.17 g/mol
LogP1.99
Rot. Bonds

About 5-methylcyclohex-2-en-1-imine

5-methylcyclohex-2-en-1-imine (PubChem CID 86188350) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is 5-methylcyclohex-2-en-1-imine.

Molecular Properties

Compound Name5-methylcyclohex-2-en-1-imine
PubChem CID86188350
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name5-methylcyclohex-2-en-1-imine
SMILES[H]/N=C1\C=CCC(C)C1
InChIInChI=1S/C7H11N/c1-6-3-2-4-7(8)5-6/h2,4,6,8H,3,5H2,1H3/b8-7+
InChIKeyADQOMGAGKCTZMS-BQYQJAHWSA-N
XLogP1.99
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-Methyl-2-imino-3,5-cyclohexadiene
CID 14398589
Cyclohexenimine
CID 18766735
1-Ethyl-2-imino-3,5-cyclohexadiene
CID 85894878
6-Fluoro-4-methylcyclohex-2-en-1-imine
CID 91163671
6-Methyl-5-(trifluoromethyl)cyclohex-2-en-1-imine
CID 123479377
1-(4-Fluorocyclohexa-2,4-dien-1-yl)butan-1-imine
CID 143588132
1-Cyclohexyl-imino-2-butene
CID 129765474
1-Ethyl-4-imino-2,5-cyclohexadiene
CID 129808996
(1S,4S)-bicyclo[2.2.1]hept-5-en-2-imine
CID 134893192
Cyclohex-2-en-1-ylideneazanium
CID 135014091
3,5-Dimethylcyclohex-2-en-1-imine
CID 12562472
Bicyclo[2.2.1]hept-5-en-2-imine
CID 14118226

Frequently Asked Questions

What is the IUPAC name of 5-methylcyclohex-2-en-1-imine?
The IUPAC name of 5-methylcyclohex-2-en-1-imine (CID 86188350) is 5-methylcyclohex-2-en-1-imine.
What is the SMILES notation for 5-methylcyclohex-2-en-1-imine?
The canonical SMILES for 5-methylcyclohex-2-en-1-imine is [H]/N=C1\C=CCC(C)C1.
What is the InChIKey of 5-methylcyclohex-2-en-1-imine?
The InChIKey is ADQOMGAGKCTZMS-BQYQJAHWSA-N. The full InChI is InChI=1S/C7H11N/c1-6-3-2-4-7(8)5-6/h2,4,6,8H,3,5H2,1H3/b8-7+.
What are the key properties of 5-methylcyclohex-2-en-1-imine?
5-methylcyclohex-2-en-1-imine has a molecular weight of 109.17 g/mol, XLogP of 1.99, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylcyclohex-2-en-1-imine is sourced from PubChem (CID 86188350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).