1-methyl-2-propylazirine

C6H11N — CID 154550384

IUPAC1-methyl-2-propylazirine
SMILESCCCC1=CN1C
InChIInChI=1S/C6H11N/c1-3-4-6-5-7(6)2/h5H,3-4H2,1-2H3
InChIKeyJXRLSNVCELXOTA-UHFFFAOYSA-N
MW97.16 g/mol
LogP1.57
Rot. Bonds2

About 1-methyl-2-propylazirine

1-methyl-2-propylazirine (PubChem CID 154550384) has the molecular formula C6H11N and a molecular weight of 97.16 g/mol. Its IUPAC name is 1-methyl-2-propylazirine.

Molecular Properties

Compound Name1-methyl-2-propylazirine
PubChem CID154550384
Molecular FormulaC6H11N
Molecular Weight97.16 g/mol
Exact Mass97.09
IUPAC Name1-methyl-2-propylazirine
SMILESCCCC1=CN1C
InChIInChI=1S/C6H11N/c1-3-4-6-5-7(6)2/h5H,3-4H2,1-2H3
InChIKeyJXRLSNVCELXOTA-UHFFFAOYSA-N
XLogP1.57
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.16
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-propylazirine?
The IUPAC name of 1-methyl-2-propylazirine (CID 154550384) is 1-methyl-2-propylazirine.
What is the SMILES notation for 1-methyl-2-propylazirine?
The canonical SMILES for 1-methyl-2-propylazirine is CCCC1=CN1C.
What is the InChIKey of 1-methyl-2-propylazirine?
The InChIKey is JXRLSNVCELXOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N/c1-3-4-6-5-7(6)2/h5H,3-4H2,1-2H3.
What are the key properties of 1-methyl-2-propylazirine?
1-methyl-2-propylazirine has a molecular weight of 97.16 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-propylazirine is sourced from PubChem (CID 154550384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).