(2Z)-2-ethylidenebutane-1,3-diimine

C6H10N2 — CID 123645454

IUPAC(2Z)-2-ethylidenebutane-1,3-diimine
SMILES[H]/N=C/C(=C/C)/C(C)=N/[H]
InChIInChI=1S/C6H10N2/c1-3-6(4-7)5(2)8/h3-4,7-8H,1-2H3/b6-3-,7-4+,8-5+
InChIKeyIIUCQGWETXCWNB-INZYDDJUSA-N
MW110.16 g/mol
LogP1.62
Rot. Bonds2

About (2Z)-2-ethylidenebutane-1,3-diimine

(2Z)-2-ethylidenebutane-1,3-diimine (PubChem CID 123645454) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is (2Z)-2-ethylidenebutane-1,3-diimine.

Molecular Properties

Compound Name(2Z)-2-ethylidenebutane-1,3-diimine
PubChem CID123645454
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name(2Z)-2-ethylidenebutane-1,3-diimine
SMILES[H]/N=C/C(=C/C)/C(C)=N/[H]
InChIInChI=1S/C6H10N2/c1-3-6(4-7)5(2)8/h3-4,7-8H,1-2H3/b6-3-,7-4+,8-5+
InChIKeyIIUCQGWETXCWNB-INZYDDJUSA-N
XLogP1.62
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-Fluoro-5-methylhex-2-ene-1,4-diimine
CID 123164030
(E)-5-fluoro-2-methylidenehex-4-ene-1,3-diimine
CID 123197329
(E)-3-fluoro-2-methylpent-2-ene-1,4-diimine
CID 138494920
(Z)-4-imino-2-methylpent-2-enimidoyl fluoride
CID 138494928
(Z)-5,5,5-trifluoro-3-methylpent-2-ene-1,4-diimine
CID 141985997
(Z)-3-methanimidoyl-4-methylpent-2-enimidoyl fluoride
CID 146392589
(E)-3-(fluoromethyl)pent-2-en-1-imine
CID 170415162
5,7-dimethyl-4H-diazepine
CID 14971606
(Z)-3-methanimidoylpent-2-enimidoyl fluoride
CID 143799789
(E)-2-(trifluoromethyl)pent-2-ene-1,4-diimine
CID 165143463
3-Methylpent-3-en-2-imine
CID 15835473
4-Methanimidoylcyclohexa-2,4-dien-1-imine
CID 22338342

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-ethylidenebutane-1,3-diimine?
The IUPAC name of (2Z)-2-ethylidenebutane-1,3-diimine (CID 123645454) is (2Z)-2-ethylidenebutane-1,3-diimine.
What is the SMILES notation for (2Z)-2-ethylidenebutane-1,3-diimine?
The canonical SMILES for (2Z)-2-ethylidenebutane-1,3-diimine is [H]/N=C/C(=C/C)/C(C)=N/[H].
What is the InChIKey of (2Z)-2-ethylidenebutane-1,3-diimine?
The InChIKey is IIUCQGWETXCWNB-INZYDDJUSA-N. The full InChI is InChI=1S/C6H10N2/c1-3-6(4-7)5(2)8/h3-4,7-8H,1-2H3/b6-3-,7-4+,8-5+.
What are the key properties of (2Z)-2-ethylidenebutane-1,3-diimine?
(2Z)-2-ethylidenebutane-1,3-diimine has a molecular weight of 110.16 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-ethylidenebutane-1,3-diimine is sourced from PubChem (CID 123645454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).