4,5-dimethylcyclohexane-1,2-diimine

C8H14N2 — CID 123662086

IUPAC4,5-dimethylcyclohexane-1,2-diimine
SMILES[H]/N=C1\CC(C)C(C)C\C1=N/[H]
InChIInChI=1S/C8H14N2/c1-5-3-7(9)8(10)4-6(5)2/h5-6,9-10H,3-4H2,1-2H3/b9-7+,10-8+
InChIKeyBVFYHTBEOZMFQE-FIFLTTCUSA-N
MW138.21 g/mol
LogP2.09
Rot. Bonds

About 4,5-dimethylcyclohexane-1,2-diimine

4,5-dimethylcyclohexane-1,2-diimine (PubChem CID 123662086) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 4,5-dimethylcyclohexane-1,2-diimine.

Molecular Properties

Compound Name4,5-dimethylcyclohexane-1,2-diimine
PubChem CID123662086
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name4,5-dimethylcyclohexane-1,2-diimine
SMILES[H]/N=C1\CC(C)C(C)C\C1=N/[H]
InChIInChI=1S/C8H14N2/c1-5-3-7(9)8(10)4-6(5)2/h5-6,9-10H,3-4H2,1-2H3/b9-7+,10-8+
InChIKeyBVFYHTBEOZMFQE-FIFLTTCUSA-N
XLogP2.09
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.09
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

[(2S)-2-methylcyclopropyl]methanimine
CID 147736127
2-imino-5-methylcyclopentan-1-one
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CID 174333985
3-imino-4-methylcyclopentan-1-ol
CID 145156750
(4R)-4,5-dimethyl-3,4-dihydropyrrol-2-imine
CID 144723500
3,5-dimethylcyclohex-2-en-1-imine
CID 12562472
4-ethyl-3,5-dimethylcyclohex-2-en-1-imine
CID 123539478
1,2-diethyl-4,5-dimethylcyclohexene
CID 74022411
5,7-dimethylbicyclo[4.1.0]heptan-2-imine
CID 129276415
(1R,5S)-3-methylbicyclo[3.2.1]octan-8-imine
CID 129066405
5,6-dimethyl-2,3,4,5,6,7-hexahydro-1H-benzimidazole
CID 138625841
cyclohexane-1,2,3,4-tetraimine
CID 91465388

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethylcyclohexane-1,2-diimine?
The IUPAC name of 4,5-dimethylcyclohexane-1,2-diimine (CID 123662086) is 4,5-dimethylcyclohexane-1,2-diimine.
What is the SMILES notation for 4,5-dimethylcyclohexane-1,2-diimine?
The canonical SMILES for 4,5-dimethylcyclohexane-1,2-diimine is [H]/N=C1\CC(C)C(C)C\C1=N/[H].
What is the InChIKey of 4,5-dimethylcyclohexane-1,2-diimine?
The InChIKey is BVFYHTBEOZMFQE-FIFLTTCUSA-N. The full InChI is InChI=1S/C8H14N2/c1-5-3-7(9)8(10)4-6(5)2/h5-6,9-10H,3-4H2,1-2H3/b9-7+,10-8+.
What are the key properties of 4,5-dimethylcyclohexane-1,2-diimine?
4,5-dimethylcyclohexane-1,2-diimine has a molecular weight of 138.21 g/mol, XLogP of 2.09, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethylcyclohexane-1,2-diimine is sourced from PubChem (CID 123662086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).