3-N-ethylidene-4-methylpenta-2,4-diene-1,3-diimine

C8H12N2 — CID 123814073

IUPAC3-N-ethylidene-4-methylpenta-2,4-diene-1,3-diimine
SMILES[H]/N=C/C=C(/N=C/C)C(=C)C
InChIInChI=1S/C8H12N2/c1-4-10-8(5-6-9)7(2)3/h4-6,9H,2H2,1,3H3/b8-5?,9-6+,10-4+
InChIKeyINNBFTLCOJRJIL-UMGAPMFESA-N
MW136.20 g/mol
LogP2.19
Rot. Bonds3

About 3-N-ethylidene-4-methylpenta-2,4-diene-1,3-diimine

3-N-ethylidene-4-methylpenta-2,4-diene-1,3-diimine (PubChem CID 123814073) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 3-N-ethylidene-4-methylpenta-2,4-diene-1,3-diimine.

Molecular Properties

Compound Name3-N-ethylidene-4-methylpenta-2,4-diene-1,3-diimine
PubChem CID123814073
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name3-N-ethylidene-4-methylpenta-2,4-diene-1,3-diimine
SMILES[H]/N=C/C=C(/N=C/C)C(=C)C
InChIInChI=1S/C8H12N2/c1-4-10-8(5-6-9)7(2)3/h4-6,9H,2H2,1,3H3/b8-5?,9-6+,10-4+
InChIKeyINNBFTLCOJRJIL-UMGAPMFESA-N
XLogP2.19
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2E,3E)-2-ethylidene-3-(1-fluoropropylidene)pyridine
CID 90447928
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(3Z)-3,4-difluoro-5-methylidene-6-(2-methylprop-2-enylideneamino)hepta-1,3,6-trien-2-amine
CID 142056167
(2E)-2-[(1Z)-1-(ethylideneamino)buta-1,3-dienyl]-3-(fluoromethyl)hexa-2,5-dienimidoyl fluoride
CID 167120260
N-[(3E,5Z)-3-fluoro-7-methylidenenona-1,3,5,8-tetraen-2-yl]ethanimine
CID 169960632
1-(3-Fluoroprop-1-en-2-ylimino)-4-methylhexa-2,4-diene-2,5-diamine
CID 173718866
(3E)-3-fluoro-N-[(1E)-1-fluoro-3-methanimidoylbuta-1,3-dienyl]hexa-1,3-dien-2-amine
CID 174337087
(Z)-1-tert-butyliminopent-2-en-3-amine
CID 10986475
2-(6H-indol-3-yl)ethanimine
CID 11840987
[2-(Ethylideneamino)-5-fluorocyclopenta-1,4-dien-1-yl]methanamine
CID 145143523
(3Z,5E,6E)-5-[1-(ethylideneamino)ethylidene]-6-fluoro-3-methyldeca-3,6-dien-4-amine
CID 177018825
5-Ethylcyclopenta[b]pyrrole
CID 22667455

Frequently Asked Questions

What is the IUPAC name of 3-N-ethylidene-4-methylpenta-2,4-diene-1,3-diimine?
The IUPAC name of 3-N-ethylidene-4-methylpenta-2,4-diene-1,3-diimine (CID 123814073) is 3-N-ethylidene-4-methylpenta-2,4-diene-1,3-diimine.
What is the SMILES notation for 3-N-ethylidene-4-methylpenta-2,4-diene-1,3-diimine?
The canonical SMILES for 3-N-ethylidene-4-methylpenta-2,4-diene-1,3-diimine is [H]/N=C/C=C(/N=C/C)C(=C)C.
What is the InChIKey of 3-N-ethylidene-4-methylpenta-2,4-diene-1,3-diimine?
The InChIKey is INNBFTLCOJRJIL-UMGAPMFESA-N. The full InChI is InChI=1S/C8H12N2/c1-4-10-8(5-6-9)7(2)3/h4-6,9H,2H2,1,3H3/b8-5?,9-6+,10-4+.
What are the key properties of 3-N-ethylidene-4-methylpenta-2,4-diene-1,3-diimine?
3-N-ethylidene-4-methylpenta-2,4-diene-1,3-diimine has a molecular weight of 136.20 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-ethylidene-4-methylpenta-2,4-diene-1,3-diimine is sourced from PubChem (CID 123814073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).