2-tert-butyl-1-ethyl-3-methylaziridine

C9H19N — CID 580906

IUPAC2-tert-butyl-1-ethyl-3-methylaziridine
SMILESCCN1C(C)C1C(C)(C)C
InChIInChI=1S/C9H19N/c1-6-10-7(2)8(10)9(3,4)5/h7-8H,6H2,1-5H3
InChIKeyOLYXCHAZIYYNDK-UHFFFAOYSA-N
MW141.26 g/mol
LogP2.13
Rot. Bonds1

About 2-tert-butyl-1-ethyl-3-methylaziridine

2-tert-butyl-1-ethyl-3-methylaziridine (PubChem CID 580906) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is 2-tert-butyl-1-ethyl-3-methylaziridine.

Molecular Properties

Compound Name2-tert-butyl-1-ethyl-3-methylaziridine
PubChem CID580906
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name2-tert-butyl-1-ethyl-3-methylaziridine
SMILESCCN1C(C)C1C(C)(C)C
InChIInChI=1S/C9H19N/c1-6-10-7(2)8(10)9(3,4)5/h7-8H,6H2,1-5H3
InChIKeyOLYXCHAZIYYNDK-UHFFFAOYSA-N
XLogP2.13
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.13
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 2-tert-butyl-1-ethyl-3-methylaziridine?
The IUPAC name of 2-tert-butyl-1-ethyl-3-methylaziridine (CID 580906) is 2-tert-butyl-1-ethyl-3-methylaziridine.
What is the SMILES notation for 2-tert-butyl-1-ethyl-3-methylaziridine?
The canonical SMILES for 2-tert-butyl-1-ethyl-3-methylaziridine is CCN1C(C)C1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-1-ethyl-3-methylaziridine?
The InChIKey is OLYXCHAZIYYNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N/c1-6-10-7(2)8(10)9(3,4)5/h7-8H,6H2,1-5H3.
What are the key properties of 2-tert-butyl-1-ethyl-3-methylaziridine?
2-tert-butyl-1-ethyl-3-methylaziridine has a molecular weight of 141.26 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-ethyl-3-methylaziridine is sourced from PubChem (CID 580906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).