3-N-ethylidenebut-2-ene-1,3-diimine

C6H10N2 — CID 91606958

IUPAC3-N-ethylidenebut-2-ene-1,3-diimine
SMILES[H]/N=C/C=C(C)/N=C/C
InChIInChI=1S/C6H10N2/c1-3-8-6(2)4-5-7/h3-5,7H,1-2H3/b6-4?,7-5+,8-3+
InChIKeyADLIQVNVAMTSMA-VAENWZMYSA-N
MW110.16 g/mol
LogP1.63
Rot. Bonds2

About 3-N-ethylidenebut-2-ene-1,3-diimine

3-N-ethylidenebut-2-ene-1,3-diimine (PubChem CID 91606958) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is 3-N-ethylidenebut-2-ene-1,3-diimine.

Molecular Properties

Compound Name3-N-ethylidenebut-2-ene-1,3-diimine
PubChem CID91606958
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name3-N-ethylidenebut-2-ene-1,3-diimine
SMILES[H]/N=C/C=C(C)/N=C/C
InChIInChI=1S/C6H10N2/c1-3-8-6(2)4-5-7/h3-5,7H,1-2H3/b6-4?,7-5+,8-3+
InChIKeyADLIQVNVAMTSMA-VAENWZMYSA-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

(Z)-4-N-ethylidenepent-3-ene-2,4-diimine
CID 154517180
N-[(2E)-6-methylocta-2,4,6-trien-2-yl]ethanimine
CID 91116659
ethane;(Z)-2-methylbut-2-ene-1,4-diimine
CID 142083351
(E)-5-imino-3-methylpent-3-en-2-one
CID 90907601
3-prop-1-en-2-ylhexa-2,4-dien-1-imine
CID 123815278
(2E,4Z)-3,4-diethylhexa-2,4-dien-1-imine;propane
CID 143467837
N-[(Z)-1-methylsulfanylprop-1-en-2-yl]ethanimine
CID 130370297
ethane;N-[(Z)-pent-2-en-2-yl]ethanimine
CID 142915693
(2Z,4Z)-3-ethenylhexa-2,4-dien-1-imine
CID 122644792
(2E,6E)-3-methylocta-2,6-dien-1-imine;prop-1-ene
CID 163243762
N'-[(E)-1-(ethylideneamino)-3-imino-2-methylprop-1-enyl]ethanimidamide
CID 143245763
N'-[(2Z,4Z)-hexa-2,4-dien-2-yl]methanimidamide
CID 88952109

Frequently Asked Questions

What is the IUPAC name of 3-N-ethylidenebut-2-ene-1,3-diimine?
The IUPAC name of 3-N-ethylidenebut-2-ene-1,3-diimine (CID 91606958) is 3-N-ethylidenebut-2-ene-1,3-diimine.
What is the SMILES notation for 3-N-ethylidenebut-2-ene-1,3-diimine?
The canonical SMILES for 3-N-ethylidenebut-2-ene-1,3-diimine is [H]/N=C/C=C(C)/N=C/C.
What is the InChIKey of 3-N-ethylidenebut-2-ene-1,3-diimine?
The InChIKey is ADLIQVNVAMTSMA-VAENWZMYSA-N. The full InChI is InChI=1S/C6H10N2/c1-3-8-6(2)4-5-7/h3-5,7H,1-2H3/b6-4?,7-5+,8-3+.
What are the key properties of 3-N-ethylidenebut-2-ene-1,3-diimine?
3-N-ethylidenebut-2-ene-1,3-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-2-ene-1,3-diimine is sourced from PubChem (CID 91606958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).