3-N-butan-2-ylidenebut-3-ene-2,3-diimine

C8H14N2 — CID 123646481

IUPAC3-N-butan-2-ylidenebut-3-ene-2,3-diimine
SMILES[H]/N=C(\C)C(=C)/N=C(\C)CC
InChIInChI=1S/C8H14N2/c1-5-6(2)10-8(4)7(3)9/h9H,4-5H2,1-3H3/b9-7+,10-6+
InChIKeySEAXSMLIWUGRLK-IDXDHNASSA-N
MW138.21 g/mol
LogP2.41
Rot. Bonds3

About 3-N-butan-2-ylidenebut-3-ene-2,3-diimine

3-N-butan-2-ylidenebut-3-ene-2,3-diimine (PubChem CID 123646481) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 3-N-butan-2-ylidenebut-3-ene-2,3-diimine.

Molecular Properties

Compound Name3-N-butan-2-ylidenebut-3-ene-2,3-diimine
PubChem CID123646481
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name3-N-butan-2-ylidenebut-3-ene-2,3-diimine
SMILES[H]/N=C(\C)C(=C)/N=C(\C)CC
InChIInChI=1S/C8H14N2/c1-5-6(2)10-8(4)7(3)9/h9H,4-5H2,1-3H3/b9-7+,10-6+
InChIKeySEAXSMLIWUGRLK-IDXDHNASSA-N
XLogP2.41
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.41
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 3-N-butan-2-ylidenebut-3-ene-2,3-diimine?
The IUPAC name of 3-N-butan-2-ylidenebut-3-ene-2,3-diimine (CID 123646481) is 3-N-butan-2-ylidenebut-3-ene-2,3-diimine.
What is the SMILES notation for 3-N-butan-2-ylidenebut-3-ene-2,3-diimine?
The canonical SMILES for 3-N-butan-2-ylidenebut-3-ene-2,3-diimine is [H]/N=C(\C)C(=C)/N=C(\C)CC.
What is the InChIKey of 3-N-butan-2-ylidenebut-3-ene-2,3-diimine?
The InChIKey is SEAXSMLIWUGRLK-IDXDHNASSA-N. The full InChI is InChI=1S/C8H14N2/c1-5-6(2)10-8(4)7(3)9/h9H,4-5H2,1-3H3/b9-7+,10-6+.
What are the key properties of 3-N-butan-2-ylidenebut-3-ene-2,3-diimine?
3-N-butan-2-ylidenebut-3-ene-2,3-diimine has a molecular weight of 138.21 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-butan-2-ylidenebut-3-ene-2,3-diimine is sourced from PubChem (CID 123646481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).