1-methyl-2-propan-2-ylazirine

C6H11N — CID 163485066

IUPAC1-methyl-2-propan-2-ylazirine
SMILESCC(C)C1=CN1C
InChIInChI=1S/C6H11N/c1-5(2)6-4-7(6)3/h4-5H,1-3H3
InChIKeyCHWHMVFFCMZSRY-UHFFFAOYSA-N
MW97.16 g/mol
LogP1.43
Rot. Bonds1

About 1-methyl-2-propan-2-ylazirine

1-methyl-2-propan-2-ylazirine (PubChem CID 163485066) has the molecular formula C6H11N and a molecular weight of 97.16 g/mol. Its IUPAC name is 1-methyl-2-propan-2-ylazirine.

Molecular Properties

Compound Name1-methyl-2-propan-2-ylazirine
PubChem CID163485066
Molecular FormulaC6H11N
Molecular Weight97.16 g/mol
Exact Mass97.09
IUPAC Name1-methyl-2-propan-2-ylazirine
SMILESCC(C)C1=CN1C
InChIInChI=1S/C6H11N/c1-5(2)6-4-7(6)3/h4-5H,1-3H3
InChIKeyCHWHMVFFCMZSRY-UHFFFAOYSA-N
XLogP1.43
TPSA3.01 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 ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-methyl-2-propan-2-ylazirine 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

2-(2-Fluoroethyl)-1-prop-1-en-2-ylazirine
CID 146538205
N,N,3-Trimethyl-1-buten-2-amine
CID 538645
N,3-dimethyl-N-propylbut-1-en-2-amine
CID 12239640
(1-Cyclopropylvinyl)dimethylamine
CID 17979386
1,3-dimethyl-2-methylidene-3H-pyrrole
CID 59591210
CID 59901942
CID 59901942
2-Ethyl-1-propylazirine
CID 89242636
1-Ethyl-2-propylazirine
CID 89965103
2-Ethyl-1-methylazirine
CID 123690460
N-ethyl-N,3-dimethylbut-1-en-2-amine
CID 126658898
N,3-dimethyl-N-propan-2-ylcyclopropen-1-amine
CID 129108383
N-ethenyl-N-ethyl-3-methylbut-1-en-2-amine
CID 130225203

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-propan-2-ylazirine?
The IUPAC name of 1-methyl-2-propan-2-ylazirine (CID 163485066) is 1-methyl-2-propan-2-ylazirine.
What is the SMILES notation for 1-methyl-2-propan-2-ylazirine?
The canonical SMILES for 1-methyl-2-propan-2-ylazirine is CC(C)C1=CN1C.
What is the InChIKey of 1-methyl-2-propan-2-ylazirine?
The InChIKey is CHWHMVFFCMZSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N/c1-5(2)6-4-7(6)3/h4-5H,1-3H3.
What are the key properties of 1-methyl-2-propan-2-ylazirine?
1-methyl-2-propan-2-ylazirine has a molecular weight of 97.16 g/mol, XLogP of 1.43, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-propan-2-ylazirine is sourced from PubChem (CID 163485066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).