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

C6H11N — CID 123721159

IUPAC2-methyl-3-propan-2-yl-2H-azirine
SMILESCC(C)C1=NC1C
InChIInChI=1S/C6H11N/c1-4(2)6-5(3)7-6/h4-5H,1-3H3
InChIKeyIEEYTAJCEQUTEF-UHFFFAOYSA-N
MW97.16 g/mol
LogP1.49
Rot. Bonds1

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

2-methyl-3-propan-2-yl-2H-azirine (PubChem CID 123721159) has the molecular formula C6H11N and a molecular weight of 97.16 g/mol. Its IUPAC name is 2-methyl-3-propan-2-yl-2H-azirine.

Molecular Properties

Compound Name2-methyl-3-propan-2-yl-2H-azirine
PubChem CID123721159
Molecular FormulaC6H11N
Molecular Weight97.16 g/mol
Exact Mass97.09
IUPAC Name2-methyl-3-propan-2-yl-2H-azirine
SMILESCC(C)C1=NC1C
InChIInChI=1S/C6H11N/c1-4(2)6-5(3)7-6/h4-5H,1-3H3
InChIKeyIEEYTAJCEQUTEF-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

Analyze 2-methyl-3-propan-2-yl-2H-azirine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-3,5-di(propan-2-yl)-4,5-dihydro-1,2-oxazole
CID 134267440
5-methyl-6-propan-2-yl-4,5-dihydropyrimidine
CID 166106845
5-propan-2-yl-4H-triazol-4-ol
CID 168792941
4-methyl-2-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 20730304
(3S,4R)-2-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyrrole-3,4-diol
CID 145054727
4,5-di(propan-2-yl)-4H-imidazole;ethane
CID 157348489
(4R)-2-[(1S)-1-aminoethyl]-4-methyl-4H-1,3-oxazol-5-one
CID 51898066
4-ethyl-5-propan-2-yl-3,4-dihydro-2H-pyrrole
CID 91423263
methyl-(2-methyl-5-propan-2-yl-2H-pyrrol-4-yl)phosphane
CID 155122755
3-methyl-2-propan-2-yl-2H-azirine
CID 71400925
4-methyl-2,6-di(propan-2-yl)-4,5-dihydropyrimidine;hydroiodide
CID 144662709
5-chloro-2-methyl-6-propan-2-yl-2,3-dihydropyridine
CID 155273382

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-propan-2-yl-2H-azirine?
The IUPAC name of 2-methyl-3-propan-2-yl-2H-azirine (CID 123721159) is 2-methyl-3-propan-2-yl-2H-azirine.
What is the SMILES notation for 2-methyl-3-propan-2-yl-2H-azirine?
The canonical SMILES for 2-methyl-3-propan-2-yl-2H-azirine is CC(C)C1=NC1C.
What is the InChIKey of 2-methyl-3-propan-2-yl-2H-azirine?
The InChIKey is IEEYTAJCEQUTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N/c1-4(2)6-5(3)7-6/h4-5H,1-3H3.
What are the key properties of 2-methyl-3-propan-2-yl-2H-azirine?
2-methyl-3-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 2-methyl-3-propan-2-yl-2H-azirine is sourced from PubChem (CID 123721159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).