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

C7H10N2 — CID 20673085

IUPAC4-N-methylcyclohex-2-ene-1,4-diimine
SMILES[H]/N=C1/C=C/C(=N\C)CC1
InChIInChI=1S/C7H10N2/c1-9-7-4-2-6(8)3-5-7/h2,4,8H,3,5H2,1H3/b8-6-,9-7+
InChIKeyHEMPZQRZCIIURY-MKKAVFGOSA-N
MW122.17 g/mol
LogP1.43
Rot. Bonds

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

4-N-methylcyclohex-2-ene-1,4-diimine (PubChem CID 20673085) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is 4-N-methylcyclohex-2-ene-1,4-diimine.

Molecular Properties

Compound Name4-N-methylcyclohex-2-ene-1,4-diimine
PubChem CID20673085
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name4-N-methylcyclohex-2-ene-1,4-diimine
SMILES[H]/N=C1/C=C/C(=N\C)CC1
InChIInChI=1S/C7H10N2/c1-9-7-4-2-6(8)3-5-7/h2,4,8H,3,5H2,1H3/b8-6-,9-7+
InChIKeyHEMPZQRZCIIURY-MKKAVFGOSA-N
XLogP1.43
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Cyclohexenimine
CID 18766735
Cyclohex-4-ene-1,3-diimine
CID 101179917
4-fluoro-N-methylcyclohex-2-en-1-imine
CID 123864135
Cyclohex-2-en-1-ylideneazanium
CID 135014091
Cyclohex-2-en-1-ylidene(methyl)azanium
CID 135031019
N-methylcyclohex-2-en-1-imine
CID 20718417
Cyclohex-4-ene-1,2,3-triimine
CID 53436011
N-methylcyclohex-3-en-1-imine
CID 56975694
2-N-methylcyclohexa-3,5-diene-1,2-diimine
CID 59789006
4-N-methylcyclohexa-2,5-diene-1,4-diimine
CID 70148626
3-ethyl-2-N-methylcyclohexa-3,5-diene-1,2-diimine
CID 89231732
Cyclohex-3-ene-1,2-diimine
CID 89322383

Frequently Asked Questions

What is the IUPAC name of 4-N-methylcyclohex-2-ene-1,4-diimine?
The IUPAC name of 4-N-methylcyclohex-2-ene-1,4-diimine (CID 20673085) is 4-N-methylcyclohex-2-ene-1,4-diimine.
What is the SMILES notation for 4-N-methylcyclohex-2-ene-1,4-diimine?
The canonical SMILES for 4-N-methylcyclohex-2-ene-1,4-diimine is [H]/N=C1/C=C/C(=N\C)CC1.
What is the InChIKey of 4-N-methylcyclohex-2-ene-1,4-diimine?
The InChIKey is HEMPZQRZCIIURY-MKKAVFGOSA-N. The full InChI is InChI=1S/C7H10N2/c1-9-7-4-2-6(8)3-5-7/h2,4,8H,3,5H2,1H3/b8-6-,9-7+.
What are the key properties of 4-N-methylcyclohex-2-ene-1,4-diimine?
4-N-methylcyclohex-2-ene-1,4-diimine has a molecular weight of 122.17 g/mol, XLogP of 1.43, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methylcyclohex-2-ene-1,4-diimine is sourced from PubChem (CID 20673085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).