(Z)-3-methyl-N'-methylidenebut-3-ene-1,4-diimine

C6H10N2 — CID 123223844

IUPAC(Z)-3-methyl-N'-methylidenebut-3-ene-1,4-diimine
SMILES[H]/N=C/C/C(C)=C\N=C
InChIInChI=1S/C6H10N2/c1-6(3-4-7)5-8-2/h4-5,7H,2-3H2,1H3/b6-5-,7-4+
InChIKeyAAEHTHYHAWVCFE-IUQJDUBZSA-N
MW110.16 g/mol
LogP1.63
Rot. Bonds3

About (Z)-3-methyl-N'-methylidenebut-3-ene-1,4-diimine

(Z)-3-methyl-N'-methylidenebut-3-ene-1,4-diimine (PubChem CID 123223844) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is (Z)-3-methyl-N'-methylidenebut-3-ene-1,4-diimine.

Molecular Properties

Compound Name(Z)-3-methyl-N'-methylidenebut-3-ene-1,4-diimine
PubChem CID123223844
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name(Z)-3-methyl-N'-methylidenebut-3-ene-1,4-diimine
SMILES[H]/N=C/C/C(C)=C\N=C
InChIInChI=1S/C6H10N2/c1-6(3-4-7)5-8-2/h4-5,7H,2-3H2,1H3/b6-5-,7-4+
InChIKeyAAEHTHYHAWVCFE-IUQJDUBZSA-N
XLogP1.63
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.63
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)-3-methyl-N'-methylidenebut-3-ene-1,4-diimine?
The IUPAC name of (Z)-3-methyl-N'-methylidenebut-3-ene-1,4-diimine (CID 123223844) is (Z)-3-methyl-N'-methylidenebut-3-ene-1,4-diimine.
What is the SMILES notation for (Z)-3-methyl-N'-methylidenebut-3-ene-1,4-diimine?
The canonical SMILES for (Z)-3-methyl-N'-methylidenebut-3-ene-1,4-diimine is [H]/N=C/C/C(C)=C\N=C.
What is the InChIKey of (Z)-3-methyl-N'-methylidenebut-3-ene-1,4-diimine?
The InChIKey is AAEHTHYHAWVCFE-IUQJDUBZSA-N. The full InChI is InChI=1S/C6H10N2/c1-6(3-4-7)5-8-2/h4-5,7H,2-3H2,1H3/b6-5-,7-4+.
What are the key properties of (Z)-3-methyl-N'-methylidenebut-3-ene-1,4-diimine?
(Z)-3-methyl-N'-methylidenebut-3-ene-1,4-diimine has a molecular weight of 110.16 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-methyl-N'-methylidenebut-3-ene-1,4-diimine is sourced from PubChem (CID 123223844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).