(E)-2-ethyl-N-methyl-4-methyliminobut-2-en-1-amine

C8H16N2 — CID 143759728

IUPAC(E)-2-ethyl-N-methyl-4-methyliminobut-2-en-1-amine
SMILESCC/C(=C\C=N\C)CNC
InChIInChI=1S/C8H16N2/c1-4-8(7-10-3)5-6-9-2/h5-6,10H,4,7H2,1-3H3/b8-5+,9-6+
InChIKeyYKWIROJKSJJVOO-XVYDYJIPSA-N
MW140.23 g/mol
LogP1.24
Rot. Bonds4

About (E)-2-ethyl-N-methyl-4-methyliminobut-2-en-1-amine

(E)-2-ethyl-N-methyl-4-methyliminobut-2-en-1-amine (PubChem CID 143759728) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is (E)-2-ethyl-N-methyl-4-methyliminobut-2-en-1-amine.

Molecular Properties

Compound Name(E)-2-ethyl-N-methyl-4-methyliminobut-2-en-1-amine
PubChem CID143759728
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name(E)-2-ethyl-N-methyl-4-methyliminobut-2-en-1-amine
SMILESCC/C(=C\C=N\C)CNC
InChIInChI=1S/C8H16N2/c1-4-8(7-10-3)5-6-9-2/h5-6,10H,4,7H2,1-3H3/b8-5+,9-6+
InChIKeyYKWIROJKSJJVOO-XVYDYJIPSA-N
XLogP1.24
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.24
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

(E,4Z)-2-ethyl-4-(fluoromethylimino)-N,N-dimethylbut-2-en-1-amine
CID 144126167
[(2E)-10-(dimethylamino)-3,7-dimethyldeca-2,4,6,8-tetraenylidene]-methylazanium
CID 53867949
1-(2,3-dihydropyridin-5-yl)-N-methylmethanamine
CID 89652924
N-methyl-2-(2H-pyrrol-4-yl)ethanamine
CID 90161354
2-ethyl-3-(ethylideneamino)-N-methylbut-2-en-1-amine
CID 91075899
4-[[Ethyl(propyl)amino]methyl]-2,3-dihydropyridin-2-amine
CID 91308930
(Z,2E)-N-methyl-2-(2-methyliminoethylidene)pent-3-en-1-amine
CID 117904339
N-methyl-3-(methyliminomethyl)hex-3-en-2-amine
CID 123203381
N,3-dimethyl-2-methylidene-5-methyliminopent-3-en-1-amine
CID 123218319
4-butan-2-ylimino-N,2-dimethylbut-2-en-1-amine
CID 123273342
N-methyl-1-(3-methyl-2,3-dihydropyridin-4-yl)methanamine
CID 123600926
[3-Ethyl-5-methyl-4-(methylamino)hepta-2,4-dienylidene]-dimethylazanium
CID 123661743

Frequently Asked Questions

What is the IUPAC name of (E)-2-ethyl-N-methyl-4-methyliminobut-2-en-1-amine?
The IUPAC name of (E)-2-ethyl-N-methyl-4-methyliminobut-2-en-1-amine (CID 143759728) is (E)-2-ethyl-N-methyl-4-methyliminobut-2-en-1-amine.
What is the SMILES notation for (E)-2-ethyl-N-methyl-4-methyliminobut-2-en-1-amine?
The canonical SMILES for (E)-2-ethyl-N-methyl-4-methyliminobut-2-en-1-amine is CC/C(=C\C=N\C)CNC.
What is the InChIKey of (E)-2-ethyl-N-methyl-4-methyliminobut-2-en-1-amine?
The InChIKey is YKWIROJKSJJVOO-XVYDYJIPSA-N. The full InChI is InChI=1S/C8H16N2/c1-4-8(7-10-3)5-6-9-2/h5-6,10H,4,7H2,1-3H3/b8-5+,9-6+.
What are the key properties of (E)-2-ethyl-N-methyl-4-methyliminobut-2-en-1-amine?
(E)-2-ethyl-N-methyl-4-methyliminobut-2-en-1-amine has a molecular weight of 140.23 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-ethyl-N-methyl-4-methyliminobut-2-en-1-amine is sourced from PubChem (CID 143759728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).