2-methyl-2-(2-methylpropyl)azirine

C7H13N — CID 91099313

IUPAC2-methyl-2-(2-methylpropyl)azirine
SMILESCC(C)CC1(C)C=N1
InChIInChI=1S/C7H13N/c1-6(2)4-7(3)5-8-7/h5-6H,4H2,1-3H3
InChIKeySRVPPSPTAQCWNF-UHFFFAOYSA-N
MW111.19 g/mol
LogP1.88
Rot. Bonds2

About 2-methyl-2-(2-methylpropyl)azirine

2-methyl-2-(2-methylpropyl)azirine (PubChem CID 91099313) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is 2-methyl-2-(2-methylpropyl)azirine.

Molecular Properties

Compound Name2-methyl-2-(2-methylpropyl)azirine
PubChem CID91099313
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name2-methyl-2-(2-methylpropyl)azirine
SMILESCC(C)CC1(C)C=N1
InChIInChI=1S/C7H13N/c1-6(2)4-7(3)5-8-7/h5-6H,4H2,1-3H3
InChIKeySRVPPSPTAQCWNF-UHFFFAOYSA-N
XLogP1.88
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 ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2-methylpropyl)azirine?
The IUPAC name of 2-methyl-2-(2-methylpropyl)azirine (CID 91099313) is 2-methyl-2-(2-methylpropyl)azirine.
What is the SMILES notation for 2-methyl-2-(2-methylpropyl)azirine?
The canonical SMILES for 2-methyl-2-(2-methylpropyl)azirine is CC(C)CC1(C)C=N1.
What is the InChIKey of 2-methyl-2-(2-methylpropyl)azirine?
The InChIKey is SRVPPSPTAQCWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N/c1-6(2)4-7(3)5-8-7/h5-6H,4H2,1-3H3.
What are the key properties of 2-methyl-2-(2-methylpropyl)azirine?
2-methyl-2-(2-methylpropyl)azirine has a molecular weight of 111.19 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2-methylpropyl)azirine is sourced from PubChem (CID 91099313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).