1,2-ditert-butylaziridine

C10H21N — CID 23246192

IUPAC1,2-ditert-butylaziridine
SMILESCC(C)(C)C1CN1C(C)(C)C
InChIInChI=1S/C10H21N/c1-9(2,3)8-7-11(8)10(4,5)6/h8H,7H2,1-6H3
InChIKeyJYQCZIZCURZHOT-UHFFFAOYSA-N
MW155.28 g/mol
LogP2.52
Rot. Bonds

About 1,2-ditert-butylaziridine

1,2-ditert-butylaziridine (PubChem CID 23246192) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is 1,2-ditert-butylaziridine.

Molecular Properties

Compound Name1,2-ditert-butylaziridine
PubChem CID23246192
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Name1,2-ditert-butylaziridine
SMILESCC(C)(C)C1CN1C(C)(C)C
InChIInChI=1S/C10H21N/c1-9(2,3)8-7-11(8)10(4,5)6/h8H,7H2,1-6H3
InChIKeyJYQCZIZCURZHOT-UHFFFAOYSA-N
XLogP2.52
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 52.52
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 1,2-ditert-butylaziridine?
The IUPAC name of 1,2-ditert-butylaziridine (CID 23246192) is 1,2-ditert-butylaziridine.
What is the SMILES notation for 1,2-ditert-butylaziridine?
The canonical SMILES for 1,2-ditert-butylaziridine is CC(C)(C)C1CN1C(C)(C)C.
What is the InChIKey of 1,2-ditert-butylaziridine?
The InChIKey is JYQCZIZCURZHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N/c1-9(2,3)8-7-11(8)10(4,5)6/h8H,7H2,1-6H3.
What are the key properties of 1,2-ditert-butylaziridine?
1,2-ditert-butylaziridine has a molecular weight of 155.28 g/mol, XLogP of 2.52, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-ditert-butylaziridine is sourced from PubChem (CID 23246192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).