(E)-4-N-ethylidene-3-methylpent-3-ene-2,4-diimine

C8H14N2 — CID 123915040

IUPAC(E)-4-N-ethylidene-3-methylpent-3-ene-2,4-diimine
SMILES[H]/N=C(C)/C(C)=C(C)/N=C/C
InChIInChI=1S/C8H14N2/c1-5-10-8(4)6(2)7(3)9/h5,9H,1-4H3/b8-6+,9-7+,10-5+
InChIKeyAEMHCCYSQOQSAF-HGGCQABCSA-N
MW138.21 g/mol
LogP2.41
Rot. Bonds2

About (E)-4-N-ethylidene-3-methylpent-3-ene-2,4-diimine

(E)-4-N-ethylidene-3-methylpent-3-ene-2,4-diimine (PubChem CID 123915040) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is (E)-4-N-ethylidene-3-methylpent-3-ene-2,4-diimine.

Molecular Properties

Compound Name(E)-4-N-ethylidene-3-methylpent-3-ene-2,4-diimine
PubChem CID123915040
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name(E)-4-N-ethylidene-3-methylpent-3-ene-2,4-diimine
SMILES[H]/N=C(C)/C(C)=C(C)/N=C/C
InChIInChI=1S/C8H14N2/c1-5-10-8(4)6(2)7(3)9/h5,9H,1-4H3/b8-6+,9-7+,10-5+
InChIKeyAEMHCCYSQOQSAF-HGGCQABCSA-N
XLogP2.41
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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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Related Compounds

(2E)-2-butan-2-ylidene-1-N-(difluoromethyl)butane-1,3-diimine
CID 123486147
N-[(Z)-4-imino-3-methylpent-2-en-2-yl]ethanimidoyl fluoride
CID 126593498
(E)-4-N-ethylidene-3-fluoropent-3-ene-2,4-diimine
CID 158525661
N'-[(Z)-1,1,1-trifluoro-3-methylpent-2-en-2-yl]butane-1,4-diimine
CID 166907334
1,1,1-Trifluoro-3-methyl-4-propyliminopent-2-en-2-amine
CID 173816033
(2Z)-1-N-methyl-2-(1,1,1-trifluoropropan-2-ylidene)butane-1,3-diimine
CID 144910954
(Z)-3-methyl-4-methyliminopent-2-en-2-amine
CID 59104563
3-Methyl-4-methyliminopent-2-en-2-amine
CID 72517933
(Z)-5-methyl-4-(methyliminomethyl)hex-3-en-3-amine
CID 88579646
(Z)-2,5-dimethyl-4-(methyliminomethyl)hex-3-en-3-amine
CID 89002637
(Z)-3-methanimidoylpent-2-en-2-amine
CID 89003598
(Z)-4-methanimidoylhex-3-en-3-amine
CID 89326848

Frequently Asked Questions

What is the IUPAC name of (E)-4-N-ethylidene-3-methylpent-3-ene-2,4-diimine?
The IUPAC name of (E)-4-N-ethylidene-3-methylpent-3-ene-2,4-diimine (CID 123915040) is (E)-4-N-ethylidene-3-methylpent-3-ene-2,4-diimine.
What is the SMILES notation for (E)-4-N-ethylidene-3-methylpent-3-ene-2,4-diimine?
The canonical SMILES for (E)-4-N-ethylidene-3-methylpent-3-ene-2,4-diimine is [H]/N=C(C)/C(C)=C(C)/N=C/C.
What is the InChIKey of (E)-4-N-ethylidene-3-methylpent-3-ene-2,4-diimine?
The InChIKey is AEMHCCYSQOQSAF-HGGCQABCSA-N. The full InChI is InChI=1S/C8H14N2/c1-5-10-8(4)6(2)7(3)9/h5,9H,1-4H3/b8-6+,9-7+,10-5+.
What are the key properties of (E)-4-N-ethylidene-3-methylpent-3-ene-2,4-diimine?
(E)-4-N-ethylidene-3-methylpent-3-ene-2,4-diimine has a molecular weight of 138.21 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-N-ethylidene-3-methylpent-3-ene-2,4-diimine is sourced from PubChem (CID 123915040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).