2-tert-butyl-2,3,3-trimethylaziridine

C9H19N — CID 54020114

IUPAC2-tert-butyl-2,3,3-trimethylaziridine
SMILESCC(C)(C)C1(C)NC1(C)C
InChIInChI=1S/C9H19N/c1-7(2,3)9(6)8(4,5)10-9/h10H,1-6H3
InChIKeyKYIKAJPNCUXRQP-UHFFFAOYSA-N
MW141.26 g/mol
LogP2.17
Rot. Bonds

About 2-tert-butyl-2,3,3-trimethylaziridine

2-tert-butyl-2,3,3-trimethylaziridine (PubChem CID 54020114) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is 2-tert-butyl-2,3,3-trimethylaziridine.

Molecular Properties

Compound Name2-tert-butyl-2,3,3-trimethylaziridine
PubChem CID54020114
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name2-tert-butyl-2,3,3-trimethylaziridine
SMILESCC(C)(C)C1(C)NC1(C)C
InChIInChI=1S/C9H19N/c1-7(2,3)9(6)8(4,5)10-9/h10H,1-6H3
InChIKeyKYIKAJPNCUXRQP-UHFFFAOYSA-N
XLogP2.17
TPSA21.94 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.17
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-tert-butyl-2,3,3-trimethylaziridine?
The IUPAC name of 2-tert-butyl-2,3,3-trimethylaziridine (CID 54020114) is 2-tert-butyl-2,3,3-trimethylaziridine.
What is the SMILES notation for 2-tert-butyl-2,3,3-trimethylaziridine?
The canonical SMILES for 2-tert-butyl-2,3,3-trimethylaziridine is CC(C)(C)C1(C)NC1(C)C.
What is the InChIKey of 2-tert-butyl-2,3,3-trimethylaziridine?
The InChIKey is KYIKAJPNCUXRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N/c1-7(2,3)9(6)8(4,5)10-9/h10H,1-6H3.
What are the key properties of 2-tert-butyl-2,3,3-trimethylaziridine?
2-tert-butyl-2,3,3-trimethylaziridine has a molecular weight of 141.26 g/mol, XLogP of 2.17, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-2,3,3-trimethylaziridine is sourced from PubChem (CID 54020114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).