3-N-ethylidenebut-3-ene-2,3-diimine

C6H10N2 — CID 123502237

IUPAC3-N-ethylidenebut-3-ene-2,3-diimine
SMILES[H]/N=C(\C)C(=C)/N=C/C
InChIInChI=1S/C6H10N2/c1-4-8-6(3)5(2)7/h4,7H,3H2,1-2H3/b7-5+,8-4+
InChIKeyJQAMXLSIDGVSOF-JBVHCYJISA-N
MW110.16 g/mol
LogP1.63
Rot. Bonds2

About 3-N-ethylidenebut-3-ene-2,3-diimine

3-N-ethylidenebut-3-ene-2,3-diimine (PubChem CID 123502237) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is 3-N-ethylidenebut-3-ene-2,3-diimine.

Molecular Properties

Compound Name3-N-ethylidenebut-3-ene-2,3-diimine
PubChem CID123502237
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name3-N-ethylidenebut-3-ene-2,3-diimine
SMILES[H]/N=C(\C)C(=C)/N=C/C
InChIInChI=1S/C6H10N2/c1-4-8-6(3)5(2)7/h4,7H,3H2,1-2H3/b7-5+,8-4+
InChIKeyJQAMXLSIDGVSOF-JBVHCYJISA-N
XLogP1.63
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 ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4-Methyl-5-methylideneimidazol-2-yl)methanimine
CID 20643273
2-N-methyl-3-N-methylidenebut-3-ene-2,3-diimine
CID 57620559
3-[(Z)-2-aminoprop-1-enyl]iminobut-1-en-2-amine
CID 88216553
(Z)-3-but-1-en-2-yliminoprop-1-en-1-amine
CID 88268688
(Z)-1-(prop-2-enylideneamino)but-1-en-2-amine
CID 88594373
1-N-methyl-2-N-propan-2-ylideneprop-2-ene-1,2-diimine
CID 88874600
(E)-1-(prop-2-enylideneamino)but-1-en-2-amine
CID 88976713
3-[(Z)-2-aminoethenyl]iminobut-1-en-2-amine
CID 89054135
(Z)-2-(ethylideneamino)but-1-en-1-amine
CID 90227548
(Z)-4-N-ethylidenebut-3-ene-2,4-diimine
CID 90382157
3,6-dimethyl-5-methylidene-2H-pyrazine
CID 91408963
(Z)-3-N-ethylidenepent-2-ene-1,3-diimine
CID 118889253

Frequently Asked Questions

What is the IUPAC name of 3-N-ethylidenebut-3-ene-2,3-diimine?
The IUPAC name of 3-N-ethylidenebut-3-ene-2,3-diimine (CID 123502237) is 3-N-ethylidenebut-3-ene-2,3-diimine.
What is the SMILES notation for 3-N-ethylidenebut-3-ene-2,3-diimine?
The canonical SMILES for 3-N-ethylidenebut-3-ene-2,3-diimine is [H]/N=C(\C)C(=C)/N=C/C.
What is the InChIKey of 3-N-ethylidenebut-3-ene-2,3-diimine?
The InChIKey is JQAMXLSIDGVSOF-JBVHCYJISA-N. The full InChI is InChI=1S/C6H10N2/c1-4-8-6(3)5(2)7/h4,7H,3H2,1-2H3/b7-5+,8-4+.
What are the key properties of 3-N-ethylidenebut-3-ene-2,3-diimine?
3-N-ethylidenebut-3-ene-2,3-diimine has a molecular weight of 110.16 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-ethylidenebut-3-ene-2,3-diimine is sourced from PubChem (CID 123502237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).