2-ethyl-1-methylazirine

C5H9N — CID 123690460

IUPAC2-ethyl-1-methylazirine
SMILESCCC1=CN1C
InChIInChI=1S/C5H9N/c1-3-5-4-6(5)2/h4H,3H2,1-2H3
InChIKeyJKGDTQJSNJPPFZ-UHFFFAOYSA-N
MW83.13 g/mol
LogP1.18
Rot. Bonds1

About 2-ethyl-1-methylazirine

2-ethyl-1-methylazirine (PubChem CID 123690460) has the molecular formula C5H9N and a molecular weight of 83.13 g/mol. Its IUPAC name is 2-ethyl-1-methylazirine.

Molecular Properties

Compound Name2-ethyl-1-methylazirine
PubChem CID123690460
Molecular FormulaC5H9N
Molecular Weight83.13 g/mol
Exact Mass83.07
IUPAC Name2-ethyl-1-methylazirine
SMILESCCC1=CN1C
InChIInChI=1S/C5H9N/c1-3-5-4-6(5)2/h4H,3H2,1-2H3
InChIKeyJKGDTQJSNJPPFZ-UHFFFAOYSA-N
XLogP1.18
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50083.13
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-Fluoroethyl)-1-prop-1-en-2-ylazirine
CID 146538205
N,N-dimethylbut-1-en-2-amine
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1,2-Dimethylazirine
CID 53634468
(Z)-N-but-1-en-2-yl-N-methylbut-1-en-1-amine
CID 53686116
1-But-1-en-2-ylaziridine
CID 59591112
1-methyl-2-methylidene-3H-pyrrole
CID 59871481
CID 59901972
CID 59901972
(Z)-2-N-ethyl-1-N,1-N,2-N-trimethylbut-1-ene-1,2-diamine
CID 87430189
(Z)-1-N,1-N,2-N,2-N-tetramethylbut-1-ene-1,2-diamine
CID 87430195
N-ethenyl-N-ethylbut-1-en-2-amine
CID 88636622
2-Ethyl-1-propylazirine
CID 89242636
1-Ethyl-2-propylazirine
CID 89965103

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-methylazirine?
The IUPAC name of 2-ethyl-1-methylazirine (CID 123690460) is 2-ethyl-1-methylazirine.
What is the SMILES notation for 2-ethyl-1-methylazirine?
The canonical SMILES for 2-ethyl-1-methylazirine is CCC1=CN1C.
What is the InChIKey of 2-ethyl-1-methylazirine?
The InChIKey is JKGDTQJSNJPPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N/c1-3-5-4-6(5)2/h4H,3H2,1-2H3.
What are the key properties of 2-ethyl-1-methylazirine?
2-ethyl-1-methylazirine has a molecular weight of 83.13 g/mol, XLogP of 1.18, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-methylazirine is sourced from PubChem (CID 123690460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).