1-N-ethyl-2-N-propan-2-ylideneprop-2-ene-1,2-diimine

C8H14N2 — CID 123298431

IUPAC1-N-ethyl-2-N-propan-2-ylideneprop-2-ene-1,2-diimine
SMILESC=C(/C=N/CC)N=C(C)C
InChIInChI=1S/C8H14N2/c1-5-9-6-8(4)10-7(2)3/h6H,4-5H2,1-3H3/b9-6+
InChIKeyJLXORSXURASHEP-RMKNXTFCSA-N
MW138.21 g/mol
LogP2.07
Rot. Bonds3

About 1-N-ethyl-2-N-propan-2-ylideneprop-2-ene-1,2-diimine

1-N-ethyl-2-N-propan-2-ylideneprop-2-ene-1,2-diimine (PubChem CID 123298431) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 1-N-ethyl-2-N-propan-2-ylideneprop-2-ene-1,2-diimine.

Molecular Properties

Compound Name1-N-ethyl-2-N-propan-2-ylideneprop-2-ene-1,2-diimine
PubChem CID123298431
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name1-N-ethyl-2-N-propan-2-ylideneprop-2-ene-1,2-diimine
SMILESC=C(/C=N/CC)N=C(C)C
InChIInChI=1S/C8H14N2/c1-5-9-6-8(4)10-7(2)3/h6H,4-5H2,1-3H3/b9-6+
InChIKeyJLXORSXURASHEP-RMKNXTFCSA-N
XLogP2.07
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-N-ethylidene-2-fluoro-1-N-prop-1-en-2-ylbut-2-ene-1,3-diimine
CID 118311796
N-prop-1-en-2-ylethanimine
CID 13099162
N-prop-1-en-2-ylpropan-1-imine
CID 13099163
5-methyl-2H-1,4-diazepine
CID 68086120
1-N-methyl-2-N-propan-2-ylideneprop-2-ene-1,2-diimine
CID 88874600
(Z)-3-iodo-2-N-propan-2-ylidene-1-N-prop-1-en-2-ylbut-2-ene-1,2-diimine
CID 88874601
2-N-methyl-1-N-prop-1-en-2-ylpropane-1,2-diimine
CID 89038751
(Z)-N-[(E)-but-2-en-2-yl]but-2-en-1-imine
CID 89140427
N-[(Z)-but-2-en-2-yl]buta-2,3-dien-1-imine
CID 89384307
N,N-dimethyl-3-methyliminoprop-1-en-2-amine
CID 89398792
N-[(Z)-2-(methylideneamino)prop-1-enyl]ethanimine
CID 90089206
N-prop-1-en-2-ylprop-2-en-1-imine
CID 90935022

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-2-N-propan-2-ylideneprop-2-ene-1,2-diimine?
The IUPAC name of 1-N-ethyl-2-N-propan-2-ylideneprop-2-ene-1,2-diimine (CID 123298431) is 1-N-ethyl-2-N-propan-2-ylideneprop-2-ene-1,2-diimine.
What is the SMILES notation for 1-N-ethyl-2-N-propan-2-ylideneprop-2-ene-1,2-diimine?
The canonical SMILES for 1-N-ethyl-2-N-propan-2-ylideneprop-2-ene-1,2-diimine is C=C(/C=N/CC)N=C(C)C.
What is the InChIKey of 1-N-ethyl-2-N-propan-2-ylideneprop-2-ene-1,2-diimine?
The InChIKey is JLXORSXURASHEP-RMKNXTFCSA-N. The full InChI is InChI=1S/C8H14N2/c1-5-9-6-8(4)10-7(2)3/h6H,4-5H2,1-3H3/b9-6+.
What are the key properties of 1-N-ethyl-2-N-propan-2-ylideneprop-2-ene-1,2-diimine?
1-N-ethyl-2-N-propan-2-ylideneprop-2-ene-1,2-diimine has a molecular weight of 138.21 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-2-N-propan-2-ylideneprop-2-ene-1,2-diimine is sourced from PubChem (CID 123298431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).