2,3-diethyl-2,3-dimethylaziridine

C8H17N — CID 90693190

IUPAC2,3-diethyl-2,3-dimethylaziridine
SMILESCCC1(C)NC1(C)CC
InChIInChI=1S/C8H17N/c1-5-7(3)8(4,6-2)9-7/h9H,5-6H2,1-4H3
InChIKeyCSERFRCUFIEMCJ-UHFFFAOYSA-N
MW127.23 g/mol
LogP1.93
Rot. Bonds2

About 2,3-diethyl-2,3-dimethylaziridine

2,3-diethyl-2,3-dimethylaziridine (PubChem CID 90693190) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is 2,3-diethyl-2,3-dimethylaziridine.

Molecular Properties

Compound Name2,3-diethyl-2,3-dimethylaziridine
PubChem CID90693190
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Name2,3-diethyl-2,3-dimethylaziridine
SMILESCCC1(C)NC1(C)CC
InChIInChI=1S/C8H17N/c1-5-7(3)8(4,6-2)9-7/h9H,5-6H2,1-4H3
InChIKeyCSERFRCUFIEMCJ-UHFFFAOYSA-N
XLogP1.93
TPSA21.94 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 51.93
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 2,3-diethyl-2,3-dimethylaziridine?
The IUPAC name of 2,3-diethyl-2,3-dimethylaziridine (CID 90693190) is 2,3-diethyl-2,3-dimethylaziridine.
What is the SMILES notation for 2,3-diethyl-2,3-dimethylaziridine?
The canonical SMILES for 2,3-diethyl-2,3-dimethylaziridine is CCC1(C)NC1(C)CC.
What is the InChIKey of 2,3-diethyl-2,3-dimethylaziridine?
The InChIKey is CSERFRCUFIEMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N/c1-5-7(3)8(4,6-2)9-7/h9H,5-6H2,1-4H3.
What are the key properties of 2,3-diethyl-2,3-dimethylaziridine?
2,3-diethyl-2,3-dimethylaziridine has a molecular weight of 127.23 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diethyl-2,3-dimethylaziridine is sourced from PubChem (CID 90693190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).