4-methylcyclohex-3-ene-1,2-diimine

C7H10N2 — CID 143507678

IUPAC4-methylcyclohex-3-ene-1,2-diimine
SMILES[H]/N=C1\C=C(C)CC\C1=N/[H]
InChIInChI=1S/C7H10N2/c1-5-2-3-6(8)7(9)4-5/h4,8-9H,2-3H2,1H3/b8-6+,9-7+
InChIKeyNTDKGADOHGMAEJ-CDJQDVQCSA-N
MW122.17 g/mol
LogP1.77
Rot. Bonds

About 4-methylcyclohex-3-ene-1,2-diimine

4-methylcyclohex-3-ene-1,2-diimine (PubChem CID 143507678) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is 4-methylcyclohex-3-ene-1,2-diimine.

Molecular Properties

Compound Name4-methylcyclohex-3-ene-1,2-diimine
PubChem CID143507678
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name4-methylcyclohex-3-ene-1,2-diimine
SMILES[H]/N=C1\C=C(C)CC\C1=N/[H]
InChIInChI=1S/C7H10N2/c1-5-2-3-6(8)7(9)4-5/h4,8-9H,2-3H2,1H3/b8-6+,9-7+
InChIKeyNTDKGADOHGMAEJ-CDJQDVQCSA-N
XLogP1.77
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-4-methyl-6,7-dihydro-5H-naphthalen-1-imine
CID 126589577
4,5-dimethylcyclohexa-3,5-diene-1,2-diimine;ethane;methanamine
CID 143629749
3-methylcyclopent-2-en-1-one
CID 162114643
cyclohexane-1,2,3,4-tetraimine
CID 91465388
6-tert-butyl-2-methylcyclohepta-2,6-dien-1-imine
CID 91437087
2-fluoro-4-methyl-1-(trifluoromethoxy)cyclohexa-1,3-diene
CID 143584867
chloro-[(1Z)-3-imino-7-methylcycloocta-1,7-dien-1-yl]borinic acid
CID 123707999
1-methyl-3-propan-2-ylidenecyclopentene
CID 150029885
4-bromo-6-ethenyl-6-methylcyclohept-3-ene-1,2-diimine
CID 123441577
2-(difluoromethyl)-1-fluoro-4-methylcyclohexa-1,3-diene;ethane
CID 142342059
3,5-dimethylcyclohex-2-en-1-imine
CID 12562472
(1Z,5Z)-1,6-dimethylcycloocta-1,5-diene
CID 5365761

Frequently Asked Questions

What is the IUPAC name of 4-methylcyclohex-3-ene-1,2-diimine?
The IUPAC name of 4-methylcyclohex-3-ene-1,2-diimine (CID 143507678) is 4-methylcyclohex-3-ene-1,2-diimine.
What is the SMILES notation for 4-methylcyclohex-3-ene-1,2-diimine?
The canonical SMILES for 4-methylcyclohex-3-ene-1,2-diimine is [H]/N=C1\C=C(C)CC\C1=N/[H].
What is the InChIKey of 4-methylcyclohex-3-ene-1,2-diimine?
The InChIKey is NTDKGADOHGMAEJ-CDJQDVQCSA-N. The full InChI is InChI=1S/C7H10N2/c1-5-2-3-6(8)7(9)4-5/h4,8-9H,2-3H2,1H3/b8-6+,9-7+.
What are the key properties of 4-methylcyclohex-3-ene-1,2-diimine?
4-methylcyclohex-3-ene-1,2-diimine has a molecular weight of 122.17 g/mol, XLogP of 1.77, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylcyclohex-3-ene-1,2-diimine is sourced from PubChem (CID 143507678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).