1-tert-butyl-2,3-diethyl-2,3-dimethylaziridine

C12H25N — CID 91166453

IUPAC1-tert-butyl-2,3-diethyl-2,3-dimethylaziridine
SMILESCCC1(C)N(C(C)(C)C)C1(C)CC
InChIInChI=1S/C12H25N/c1-8-11(6)12(7,9-2)13(11)10(3,4)5/h8-9H2,1-7H3
InChIKeyWYAXFYCKONWCAY-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.44
Rot. Bonds2

About 1-tert-butyl-2,3-diethyl-2,3-dimethylaziridine

1-tert-butyl-2,3-diethyl-2,3-dimethylaziridine (PubChem CID 91166453) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is 1-tert-butyl-2,3-diethyl-2,3-dimethylaziridine.

Molecular Properties

Compound Name1-tert-butyl-2,3-diethyl-2,3-dimethylaziridine
PubChem CID91166453
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name1-tert-butyl-2,3-diethyl-2,3-dimethylaziridine
SMILESCCC1(C)N(C(C)(C)C)C1(C)CC
InChIInChI=1S/C12H25N/c1-8-11(6)12(7,9-2)13(11)10(3,4)5/h8-9H2,1-7H3
InChIKeyWYAXFYCKONWCAY-UHFFFAOYSA-N
XLogP3.44
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.44
H-Bond Donors ≤ 50
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 1-tert-butyl-2,3-diethyl-2,3-dimethylaziridine?
The IUPAC name of 1-tert-butyl-2,3-diethyl-2,3-dimethylaziridine (CID 91166453) is 1-tert-butyl-2,3-diethyl-2,3-dimethylaziridine.
What is the SMILES notation for 1-tert-butyl-2,3-diethyl-2,3-dimethylaziridine?
The canonical SMILES for 1-tert-butyl-2,3-diethyl-2,3-dimethylaziridine is CCC1(C)N(C(C)(C)C)C1(C)CC.
What is the InChIKey of 1-tert-butyl-2,3-diethyl-2,3-dimethylaziridine?
The InChIKey is WYAXFYCKONWCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-8-11(6)12(7,9-2)13(11)10(3,4)5/h8-9H2,1-7H3.
What are the key properties of 1-tert-butyl-2,3-diethyl-2,3-dimethylaziridine?
1-tert-butyl-2,3-diethyl-2,3-dimethylaziridine has a molecular weight of 183.34 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2,3-diethyl-2,3-dimethylaziridine is sourced from PubChem (CID 91166453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).