(E)-2-ethyl-N-methylbut-2-en-1-imine

C7H13N — CID 152871774

IUPAC(E)-2-ethyl-N-methylbut-2-en-1-imine
SMILESC/C=C(/C=N/C)CC
InChIInChI=1S/C7H13N/c1-4-7(5-2)6-8-3/h4,6H,5H2,1-3H3/b7-4+,8-6+
InChIKeyTZNWEXYMGCEMHL-IJYBVRAASA-N
MW111.19 g/mol
LogP2.04
Rot. Bonds2

About (E)-2-ethyl-N-methylbut-2-en-1-imine

(E)-2-ethyl-N-methylbut-2-en-1-imine (PubChem CID 152871774) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is (E)-2-ethyl-N-methylbut-2-en-1-imine.

Molecular Properties

Compound Name(E)-2-ethyl-N-methylbut-2-en-1-imine
PubChem CID152871774
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name(E)-2-ethyl-N-methylbut-2-en-1-imine
SMILESC/C=C(/C=N/C)CC
InChIInChI=1S/C7H13N/c1-4-7(5-2)6-8-3/h4,6H,5H2,1-3H3/b7-4+,8-6+
InChIKeyTZNWEXYMGCEMHL-IJYBVRAASA-N
XLogP2.04
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-Methyl-2,3-dihydropyridine
CID 53634680
(1E)-N-Butyl-2-ethylhex-2-en-1-imine
CID 71362789
3-Fluoro-5-methyl-2,3-dihydropyridine
CID 68083425
5-(Fluoromethyl)-2,3-dihydropyridine
CID 91586343
6-Fluoro-5-methyl-2,3-dihydropyridine
CID 123899309
(2E)-3-ethenyl-2-ethylidene-3-fluoro-N-methylpent-4-en-1-imine
CID 129196407
(E)-N-ethyl-4-fluoro-2-(trifluoromethyl)pent-2-en-1-imine
CID 137467801
3-Methyl-5-(trifluoromethyl)-2,3-dihydropyridine
CID 138629227
3-Fluoro-2,5-dimethyl-2,3-dihydropyridine
CID 141929354
(E)-N-methyl-2-(trifluoromethyl)hex-2-en-1-imine
CID 142438396
(E)-3-fluoro-N,2-dimethylpent-2-en-1-imine
CID 144172140
(E)-2-fluoro-N-methylpent-2-en-1-imine
CID 147702126

Frequently Asked Questions

What is the IUPAC name of (E)-2-ethyl-N-methylbut-2-en-1-imine?
The IUPAC name of (E)-2-ethyl-N-methylbut-2-en-1-imine (CID 152871774) is (E)-2-ethyl-N-methylbut-2-en-1-imine.
What is the SMILES notation for (E)-2-ethyl-N-methylbut-2-en-1-imine?
The canonical SMILES for (E)-2-ethyl-N-methylbut-2-en-1-imine is C/C=C(/C=N/C)CC.
What is the InChIKey of (E)-2-ethyl-N-methylbut-2-en-1-imine?
The InChIKey is TZNWEXYMGCEMHL-IJYBVRAASA-N. The full InChI is InChI=1S/C7H13N/c1-4-7(5-2)6-8-3/h4,6H,5H2,1-3H3/b7-4+,8-6+.
What are the key properties of (E)-2-ethyl-N-methylbut-2-en-1-imine?
(E)-2-ethyl-N-methylbut-2-en-1-imine has a molecular weight of 111.19 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-ethyl-N-methylbut-2-en-1-imine is sourced from PubChem (CID 152871774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).