2-butyl-2-methylaziridine

C7H15N — CID 55287331

IUPAC2-butyl-2-methylaziridine
SMILESCCCCC1(C)CN1
InChIInChI=1S/C7H15N/c1-3-4-5-7(2)6-8-7/h8H,3-6H2,1-2H3
InChIKeyHNPDFXVGXBKKTN-UHFFFAOYSA-N
MW113.20 g/mol
LogP1.54
Rot. Bonds3

About 2-butyl-2-methylaziridine

2-butyl-2-methylaziridine (PubChem CID 55287331) has the molecular formula C7H15N and a molecular weight of 113.20 g/mol. Its IUPAC name is 2-butyl-2-methylaziridine.

Molecular Properties

Compound Name2-butyl-2-methylaziridine
PubChem CID55287331
Molecular FormulaC7H15N
Molecular Weight113.20 g/mol
Exact Mass113.12
IUPAC Name2-butyl-2-methylaziridine
SMILESCCCCC1(C)CN1
InChIInChI=1S/C7H15N/c1-3-4-5-7(2)6-8-7/h8H,3-6H2,1-2H3
InChIKeyHNPDFXVGXBKKTN-UHFFFAOYSA-N
XLogP1.54
TPSA21.94 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.20
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-2-methylaziridine?
The IUPAC name of 2-butyl-2-methylaziridine (CID 55287331) is 2-butyl-2-methylaziridine.
What is the SMILES notation for 2-butyl-2-methylaziridine?
The canonical SMILES for 2-butyl-2-methylaziridine is CCCCC1(C)CN1.
What is the InChIKey of 2-butyl-2-methylaziridine?
The InChIKey is HNPDFXVGXBKKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N/c1-3-4-5-7(2)6-8-7/h8H,3-6H2,1-2H3.
What are the key properties of 2-butyl-2-methylaziridine?
2-butyl-2-methylaziridine has a molecular weight of 113.20 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-2-methylaziridine is sourced from PubChem (CID 55287331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).