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

C6H8N2 — CID 89256596

IUPAC3,4-dimethylcyclobut-3-ene-1,2-diimine
SMILES[H]/N=c1\c(C)c(C)\c1=N/[H]
InChIInChI=1S/C6H8N2/c1-3-4(2)6(8)5(3)7/h7-8H,1-2H3/b7-5+,8-6+
InChIKeyHYFDJDUWMSHZGN-KQQUZDAGSA-N
MW108.14 g/mol
LogP0.14
Rot. Bonds

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

3,4-dimethylcyclobut-3-ene-1,2-diimine (PubChem CID 89256596) has the molecular formula C6H8N2 and a molecular weight of 108.14 g/mol. Its IUPAC name is 3,4-dimethylcyclobut-3-ene-1,2-diimine.

Molecular Properties

Compound Name3,4-dimethylcyclobut-3-ene-1,2-diimine
PubChem CID89256596
Molecular FormulaC6H8N2
Molecular Weight108.14 g/mol
Exact Mass108.07
IUPAC Name3,4-dimethylcyclobut-3-ene-1,2-diimine
SMILES[H]/N=c1\c(C)c(C)\c1=N/[H]
InChIInChI=1S/C6H8N2/c1-3-4(2)6(8)5(3)7/h7-8H,1-2H3/b7-5+,8-6+
InChIKeyHYFDJDUWMSHZGN-KQQUZDAGSA-N
XLogP0.14
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.14
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethylcyclobut-3-ene-1,2-diimine?
The IUPAC name of 3,4-dimethylcyclobut-3-ene-1,2-diimine (CID 89256596) is 3,4-dimethylcyclobut-3-ene-1,2-diimine.
What is the SMILES notation for 3,4-dimethylcyclobut-3-ene-1,2-diimine?
The canonical SMILES for 3,4-dimethylcyclobut-3-ene-1,2-diimine is [H]/N=c1\c(C)c(C)\c1=N/[H].
What is the InChIKey of 3,4-dimethylcyclobut-3-ene-1,2-diimine?
The InChIKey is HYFDJDUWMSHZGN-KQQUZDAGSA-N. The full InChI is InChI=1S/C6H8N2/c1-3-4(2)6(8)5(3)7/h7-8H,1-2H3/b7-5+,8-6+.
What are the key properties of 3,4-dimethylcyclobut-3-ene-1,2-diimine?
3,4-dimethylcyclobut-3-ene-1,2-diimine has a molecular weight of 108.14 g/mol, XLogP of 0.14, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethylcyclobut-3-ene-1,2-diimine is sourced from PubChem (CID 89256596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).