2-(2,3-dimethylbutan-2-yl)-3-methylaziridine

C9H19N — CID 90853781

IUPAC2-(2,3-dimethylbutan-2-yl)-3-methylaziridine
SMILESCC1NC1C(C)(C)C(C)C
InChIInChI=1S/C9H19N/c1-6(2)9(4,5)8-7(3)10-8/h6-8,10H,1-5H3
InChIKeyKCSHDUPGCGEMHO-UHFFFAOYSA-N
MW141.26 g/mol
LogP2.03
Rot. Bonds2

About 2-(2,3-dimethylbutan-2-yl)-3-methylaziridine

2-(2,3-dimethylbutan-2-yl)-3-methylaziridine (PubChem CID 90853781) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is 2-(2,3-dimethylbutan-2-yl)-3-methylaziridine.

Molecular Properties

Compound Name2-(2,3-dimethylbutan-2-yl)-3-methylaziridine
PubChem CID90853781
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name2-(2,3-dimethylbutan-2-yl)-3-methylaziridine
SMILESCC1NC1C(C)(C)C(C)C
InChIInChI=1S/C9H19N/c1-6(2)9(4,5)8-7(3)10-8/h6-8,10H,1-5H3
InChIKeyKCSHDUPGCGEMHO-UHFFFAOYSA-N
XLogP2.03
TPSA21.94 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2-(2,3-dimethylbutan-2-yl)-3-methylaziridine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylbutan-2-yl)-3-methylaziridine?
The IUPAC name of 2-(2,3-dimethylbutan-2-yl)-3-methylaziridine (CID 90853781) is 2-(2,3-dimethylbutan-2-yl)-3-methylaziridine.
What is the SMILES notation for 2-(2,3-dimethylbutan-2-yl)-3-methylaziridine?
The canonical SMILES for 2-(2,3-dimethylbutan-2-yl)-3-methylaziridine is CC1NC1C(C)(C)C(C)C.
What is the InChIKey of 2-(2,3-dimethylbutan-2-yl)-3-methylaziridine?
The InChIKey is KCSHDUPGCGEMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N/c1-6(2)9(4,5)8-7(3)10-8/h6-8,10H,1-5H3.
What are the key properties of 2-(2,3-dimethylbutan-2-yl)-3-methylaziridine?
2-(2,3-dimethylbutan-2-yl)-3-methylaziridine has a molecular weight of 141.26 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylbutan-2-yl)-3-methylaziridine is sourced from PubChem (CID 90853781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).