3-methyl-2-propan-2-yl-2H-azirine

C6H11N — CID 71400925

IUPAC3-methyl-2-propan-2-yl-2H-azirine
SMILESCC1=NC1C(C)C
InChIInChI=1S/C6H11N/c1-4(2)6-5(3)7-6/h4,6H,1-3H3
InChIKeyQDWUXNIBWIWTRY-UHFFFAOYSA-N
MW97.16 g/mol
LogP1.49
Rot. Bonds1

About 3-methyl-2-propan-2-yl-2H-azirine

3-methyl-2-propan-2-yl-2H-azirine (PubChem CID 71400925) has the molecular formula C6H11N and a molecular weight of 97.16 g/mol. Its IUPAC name is 3-methyl-2-propan-2-yl-2H-azirine.

Molecular Properties

Compound Name3-methyl-2-propan-2-yl-2H-azirine
PubChem CID71400925
Molecular FormulaC6H11N
Molecular Weight97.16 g/mol
Exact Mass97.09
IUPAC Name3-methyl-2-propan-2-yl-2H-azirine
SMILESCC1=NC1C(C)C
InChIInChI=1S/C6H11N/c1-4(2)6-5(3)7-6/h4,6H,1-3H3
InChIKeyQDWUXNIBWIWTRY-UHFFFAOYSA-N
XLogP1.49
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.16
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-propan-2-yl-2H-azirine?
The IUPAC name of 3-methyl-2-propan-2-yl-2H-azirine (CID 71400925) is 3-methyl-2-propan-2-yl-2H-azirine.
What is the SMILES notation for 3-methyl-2-propan-2-yl-2H-azirine?
The canonical SMILES for 3-methyl-2-propan-2-yl-2H-azirine is CC1=NC1C(C)C.
What is the InChIKey of 3-methyl-2-propan-2-yl-2H-azirine?
The InChIKey is QDWUXNIBWIWTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N/c1-4(2)6-5(3)7-6/h4,6H,1-3H3.
What are the key properties of 3-methyl-2-propan-2-yl-2H-azirine?
3-methyl-2-propan-2-yl-2H-azirine has a molecular weight of 97.16 g/mol, XLogP of 1.49, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-propan-2-yl-2H-azirine is sourced from PubChem (CID 71400925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).