(2S,3S)-1-ethyl-2,3-dimethylaziridine

C6H13N — CID 171383942

IUPAC(2S,3S)-1-ethyl-2,3-dimethylaziridine
SMILESCCN1[C@@H](C)[C@@H]1C
InChIInChI=1S/C6H13N/c1-4-7-5(2)6(7)3/h5-6H,4H2,1-3H3/t5-,6-/m0/s1
InChIKeyLUNWJKXZDYXTDB-WDSKDSINSA-N
MW99.18 g/mol
LogP1.10
Rot. Bonds1

About (2S,3S)-1-ethyl-2,3-dimethylaziridine

(2S,3S)-1-ethyl-2,3-dimethylaziridine (PubChem CID 171383942) has the molecular formula C6H13N and a molecular weight of 99.18 g/mol. Its IUPAC name is (2S,3S)-1-ethyl-2,3-dimethylaziridine.

Molecular Properties

Compound Name(2S,3S)-1-ethyl-2,3-dimethylaziridine
PubChem CID171383942
Molecular FormulaC6H13N
Molecular Weight99.18 g/mol
Exact Mass99.10
IUPAC Name(2S,3S)-1-ethyl-2,3-dimethylaziridine
SMILESCCN1[C@@H](C)[C@@H]1C
InChIInChI=1S/C6H13N/c1-4-7-5(2)6(7)3/h5-6H,4H2,1-3H3/t5-,6-/m0/s1
InChIKeyLUNWJKXZDYXTDB-WDSKDSINSA-N
XLogP1.10
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
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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Related Compounds

Aziridine, 1-butyl-
CID 14267
1-Propylaziridine
CID 184321
1,2-Dimethylaziridine
CID 544638
aziridine, N,2-diethyl-
CID 22623468
1-Isopropylaziridine
CID 23277877
N-Methyl-n-propylcyclopropanamine
CID 106316
2,3-Dimethyl-Aziridine (Z)
CID 12695792
aziridine, N-ethyl-cis-2,3-dimethyl-
CID 129654348
3-(2-Methylaziridin-1-yl)propanenitrile
CID 14088498
1-Tert-butyl-2-methylaziridine
CID 15557486
Meth-ylene diethylamine
CID 20705517
(2R,3R)-1,2,3-trimethylaziridine
CID 22212559

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-1-ethyl-2,3-dimethylaziridine?
The IUPAC name of (2S,3S)-1-ethyl-2,3-dimethylaziridine (CID 171383942) is (2S,3S)-1-ethyl-2,3-dimethylaziridine.
What is the SMILES notation for (2S,3S)-1-ethyl-2,3-dimethylaziridine?
The canonical SMILES for (2S,3S)-1-ethyl-2,3-dimethylaziridine is CCN1[C@@H](C)[C@@H]1C.
What is the InChIKey of (2S,3S)-1-ethyl-2,3-dimethylaziridine?
The InChIKey is LUNWJKXZDYXTDB-WDSKDSINSA-N. The full InChI is InChI=1S/C6H13N/c1-4-7-5(2)6(7)3/h5-6H,4H2,1-3H3/t5-,6-/m0/s1.
What are the key properties of (2S,3S)-1-ethyl-2,3-dimethylaziridine?
(2S,3S)-1-ethyl-2,3-dimethylaziridine has a molecular weight of 99.18 g/mol, XLogP of 1.10, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-1-ethyl-2,3-dimethylaziridine is sourced from PubChem (CID 171383942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).