(Z)-N',2-dimethylbut-2-ene-1,4-diimine

C6H10N2 — CID 167038959

IUPAC(Z)-N',2-dimethylbut-2-ene-1,4-diimine
SMILES[H]/N=C/C(C)=C\C=N\C
InChIInChI=1S/C6H10N2/c1-6(5-7)3-4-8-2/h3-5,7H,1-2H3/b6-3-,7-5+,8-4+
InChIKeyWXPXNKWRFFQNFZ-IHNQRAHZSA-N
MW110.16 g/mol
LogP1.28
Rot. Bonds2

About (Z)-N',2-dimethylbut-2-ene-1,4-diimine

(Z)-N',2-dimethylbut-2-ene-1,4-diimine (PubChem CID 167038959) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is (Z)-N',2-dimethylbut-2-ene-1,4-diimine.

Molecular Properties

Compound Name(Z)-N',2-dimethylbut-2-ene-1,4-diimine
PubChem CID167038959
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name(Z)-N',2-dimethylbut-2-ene-1,4-diimine
SMILES[H]/N=C/C(C)=C\C=N\C
InChIInChI=1S/C6H10N2/c1-6(5-7)3-4-8-2/h3-5,7H,1-2H3/b6-3-,7-5+,8-4+
InChIKeyWXPXNKWRFFQNFZ-IHNQRAHZSA-N
XLogP1.28
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N',2-dimethylbut-2-ene-1,4-diimine?
The IUPAC name of (Z)-N',2-dimethylbut-2-ene-1,4-diimine (CID 167038959) is (Z)-N',2-dimethylbut-2-ene-1,4-diimine.
What is the SMILES notation for (Z)-N',2-dimethylbut-2-ene-1,4-diimine?
The canonical SMILES for (Z)-N',2-dimethylbut-2-ene-1,4-diimine is [H]/N=C/C(C)=C\C=N\C.
What is the InChIKey of (Z)-N',2-dimethylbut-2-ene-1,4-diimine?
The InChIKey is WXPXNKWRFFQNFZ-IHNQRAHZSA-N. The full InChI is InChI=1S/C6H10N2/c1-6(5-7)3-4-8-2/h3-5,7H,1-2H3/b6-3-,7-5+,8-4+.
What are the key properties of (Z)-N',2-dimethylbut-2-ene-1,4-diimine?
(Z)-N',2-dimethylbut-2-ene-1,4-diimine has a molecular weight of 110.16 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N',2-dimethylbut-2-ene-1,4-diimine is sourced from PubChem (CID 167038959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).