1-[2-(2-methylcyclopropyl)ethyl]aziridine

C8H15N — CID 123773146

IUPAC1-[2-(2-methylcyclopropyl)ethyl]aziridine
SMILESCC1CC1CCN1CC1
InChIInChI=1S/C8H15N/c1-7-6-8(7)2-3-9-4-5-9/h7-8H,2-6H2,1H3
InChIKeyXQMJSQZAQQDLJJ-UHFFFAOYSA-N
MW125.22 g/mol
LogP1.35
Rot. Bonds3

About 1-[2-(2-methylcyclopropyl)ethyl]aziridine

1-[2-(2-methylcyclopropyl)ethyl]aziridine (PubChem CID 123773146) has the molecular formula C8H15N and a molecular weight of 125.22 g/mol. Its IUPAC name is 1-[2-(2-methylcyclopropyl)ethyl]aziridine.

Molecular Properties

Compound Name1-[2-(2-methylcyclopropyl)ethyl]aziridine
PubChem CID123773146
Molecular FormulaC8H15N
Molecular Weight125.22 g/mol
Exact Mass125.12
IUPAC Name1-[2-(2-methylcyclopropyl)ethyl]aziridine
SMILESCC1CC1CCN1CC1
InChIInChI=1S/C8H15N/c1-7-6-8(7)2-3-9-4-5-9/h7-8H,2-6H2,1H3
InChIKeyXQMJSQZAQQDLJJ-UHFFFAOYSA-N
XLogP1.35
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.22
LogP ≤ 51.35
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-(2-methylcyclopropyl)ethyl]aziridine?
The IUPAC name of 1-[2-(2-methylcyclopropyl)ethyl]aziridine (CID 123773146) is 1-[2-(2-methylcyclopropyl)ethyl]aziridine.
What is the SMILES notation for 1-[2-(2-methylcyclopropyl)ethyl]aziridine?
The canonical SMILES for 1-[2-(2-methylcyclopropyl)ethyl]aziridine is CC1CC1CCN1CC1.
What is the InChIKey of 1-[2-(2-methylcyclopropyl)ethyl]aziridine?
The InChIKey is XQMJSQZAQQDLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-7-6-8(7)2-3-9-4-5-9/h7-8H,2-6H2,1H3.
What are the key properties of 1-[2-(2-methylcyclopropyl)ethyl]aziridine?
1-[2-(2-methylcyclopropyl)ethyl]aziridine has a molecular weight of 125.22 g/mol, XLogP of 1.35, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylcyclopropyl)ethyl]aziridine is sourced from PubChem (CID 123773146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).