1,2-diethylaziridine

C6H13N — CID 22623468

IUPAC1,2-diethylaziridine
SMILESCCC1CN1CC
InChIInChI=1S/C6H13N/c1-3-6-5-7(6)4-2/h6H,3-5H2,1-2H3
InChIKeyOOCFZXAIPSMXEL-UHFFFAOYSA-N
MW99.18 g/mol
LogP1.10
Rot. Bonds2

About 1,2-diethylaziridine

1,2-diethylaziridine (PubChem CID 22623468) has the molecular formula C6H13N and a molecular weight of 99.18 g/mol. Its IUPAC name is 1,2-diethylaziridine.

Molecular Properties

Compound Name1,2-diethylaziridine
PubChem CID22623468
Molecular FormulaC6H13N
Molecular Weight99.18 g/mol
Exact Mass99.10
IUPAC Name1,2-diethylaziridine
SMILESCCC1CN1CC
InChIInChI=1S/C6H13N/c1-3-6-5-7(6)4-2/h6H,3-5H2,1-2H3
InChIKeyOOCFZXAIPSMXEL-UHFFFAOYSA-N
XLogP1.10
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.18
LogP ≤ 51.10
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-diethylaziridine?
The IUPAC name of 1,2-diethylaziridine (CID 22623468) is 1,2-diethylaziridine.
What is the SMILES notation for 1,2-diethylaziridine?
The canonical SMILES for 1,2-diethylaziridine is CCC1CN1CC.
What is the InChIKey of 1,2-diethylaziridine?
The InChIKey is OOCFZXAIPSMXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N/c1-3-6-5-7(6)4-2/h6H,3-5H2,1-2H3.
What are the key properties of 1,2-diethylaziridine?
1,2-diethylaziridine has a molecular weight of 99.18 g/mol, XLogP of 1.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diethylaziridine is sourced from PubChem (CID 22623468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).