2-N-ethyl-4-methylpent-4-ene-2,3-diimine

C8H14N2 — CID 123769443

IUPAC2-N-ethyl-4-methylpent-4-ene-2,3-diimine
SMILES[H]/N=C(C(=C)C)/C(C)=N/CC
InChIInChI=1S/C8H14N2/c1-5-10-7(4)8(9)6(2)3/h9H,2,5H2,1,3-4H3/b9-8+,10-7+
InChIKeyBKVSJFNHOUUYKE-DGLUDJRXSA-N
MW138.21 g/mol
LogP2.06
Rot. Bonds3

About 2-N-ethyl-4-methylpent-4-ene-2,3-diimine

2-N-ethyl-4-methylpent-4-ene-2,3-diimine (PubChem CID 123769443) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 2-N-ethyl-4-methylpent-4-ene-2,3-diimine.

Molecular Properties

Compound Name2-N-ethyl-4-methylpent-4-ene-2,3-diimine
PubChem CID123769443
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name2-N-ethyl-4-methylpent-4-ene-2,3-diimine
SMILES[H]/N=C(C(=C)C)/C(C)=N/CC
InChIInChI=1S/C8H14N2/c1-5-10-7(4)8(9)6(2)3/h9H,2,5H2,1,3-4H3/b9-8+,10-7+
InChIKeyBKVSJFNHOUUYKE-DGLUDJRXSA-N
XLogP2.06
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 ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

ethane;(2E)-3-N-ethyl-2-pentan-2-ylidenebutane-1,3-diimine
CID 153342660
2-N-ethyl-5-methylhexane-2,4-diimine
CID 123963604
3-imino-2-(2-methylprop-2-enylideneamino)hept-1-en-4-one
CID 123552704
N-ethyl-3-methylidenehepta-4,6-dien-2-imine
CID 123979704
2,4-dimethylpent-1-en-3-imine
CID 91148130
N-ethyl-N-(N'-ethylcarbamimidoyl)ethanimidamide
CID 123163425
2,4-dimethylpent-1-en-3-imine;ethane
CID 156721750
methyl N'-ethyl-N-prop-1-en-2-ylcarbamimidothioate
CID 142019260
methyl (2Z)-2-(1-hydroxyethylidene)-3-imino-4-methylpent-4-enoate
CID 177445289
CID 58318985
CID 58318985
butanimidoyl bromide
CID 151001850
3-ethylpentan-2-imine
CID 91583168

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-4-methylpent-4-ene-2,3-diimine?
The IUPAC name of 2-N-ethyl-4-methylpent-4-ene-2,3-diimine (CID 123769443) is 2-N-ethyl-4-methylpent-4-ene-2,3-diimine.
What is the SMILES notation for 2-N-ethyl-4-methylpent-4-ene-2,3-diimine?
The canonical SMILES for 2-N-ethyl-4-methylpent-4-ene-2,3-diimine is [H]/N=C(C(=C)C)/C(C)=N/CC.
What is the InChIKey of 2-N-ethyl-4-methylpent-4-ene-2,3-diimine?
The InChIKey is BKVSJFNHOUUYKE-DGLUDJRXSA-N. The full InChI is InChI=1S/C8H14N2/c1-5-10-7(4)8(9)6(2)3/h9H,2,5H2,1,3-4H3/b9-8+,10-7+.
What are the key properties of 2-N-ethyl-4-methylpent-4-ene-2,3-diimine?
2-N-ethyl-4-methylpent-4-ene-2,3-diimine has a molecular weight of 138.21 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-4-methylpent-4-ene-2,3-diimine is sourced from PubChem (CID 123769443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).