4-N-ethylidene-3-methylbut-3-ene-2,4-diimine

C7H12N2 — CID 91293252

IUPAC4-N-ethylidene-3-methylbut-3-ene-2,4-diimine
SMILES[H]/N=C(\C)C(C)=C/N=C/C
InChIInChI=1S/C7H12N2/c1-4-9-5-6(2)7(3)8/h4-5,8H,1-3H3/b6-5?,8-7+,9-4+
InChIKeyUCJYUIGBLUNVMQ-LWKPYFNDSA-N
MW124.19 g/mol
LogP2.02
Rot. Bonds2

About 4-N-ethylidene-3-methylbut-3-ene-2,4-diimine

4-N-ethylidene-3-methylbut-3-ene-2,4-diimine (PubChem CID 91293252) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 4-N-ethylidene-3-methylbut-3-ene-2,4-diimine.

Molecular Properties

Compound Name4-N-ethylidene-3-methylbut-3-ene-2,4-diimine
PubChem CID91293252
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name4-N-ethylidene-3-methylbut-3-ene-2,4-diimine
SMILES[H]/N=C(\C)C(C)=C/N=C/C
InChIInChI=1S/C7H12N2/c1-4-9-5-6(2)7(3)8/h4-5,8H,1-3H3/b6-5?,8-7+,9-4+
InChIKeyUCJYUIGBLUNVMQ-LWKPYFNDSA-N
XLogP2.02
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 52.02
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 4-N-ethylidene-3-methylbut-3-ene-2,4-diimine?
The IUPAC name of 4-N-ethylidene-3-methylbut-3-ene-2,4-diimine (CID 91293252) is 4-N-ethylidene-3-methylbut-3-ene-2,4-diimine.
What is the SMILES notation for 4-N-ethylidene-3-methylbut-3-ene-2,4-diimine?
The canonical SMILES for 4-N-ethylidene-3-methylbut-3-ene-2,4-diimine is [H]/N=C(\C)C(C)=C/N=C/C.
What is the InChIKey of 4-N-ethylidene-3-methylbut-3-ene-2,4-diimine?
The InChIKey is UCJYUIGBLUNVMQ-LWKPYFNDSA-N. The full InChI is InChI=1S/C7H12N2/c1-4-9-5-6(2)7(3)8/h4-5,8H,1-3H3/b6-5?,8-7+,9-4+.
What are the key properties of 4-N-ethylidene-3-methylbut-3-ene-2,4-diimine?
4-N-ethylidene-3-methylbut-3-ene-2,4-diimine has a molecular weight of 124.19 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethylidene-3-methylbut-3-ene-2,4-diimine is sourced from PubChem (CID 91293252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).