1,2-dimethylaziridin-1-ium

C4H10N+ — CID 59383272

IUPAC1,2-dimethylaziridin-1-ium
SMILESCC1C[NH+]1C
InChIInChI=1S/C4H9N/c1-4-3-5(4)2/h4H,3H2,1-2H3/p+1
InChIKeyLDUKCCKFNKIVMS-UHFFFAOYSA-O
MW72.13 g/mol
LogP-1.10
Rot. Bonds

About 1,2-dimethylaziridin-1-ium

1,2-dimethylaziridin-1-ium (PubChem CID 59383272) has the molecular formula C4H10N+ and a molecular weight of 72.13 g/mol. Its IUPAC name is 1,2-dimethylaziridin-1-ium.

Molecular Properties

Compound Name1,2-dimethylaziridin-1-ium
PubChem CID59383272
Molecular FormulaC4H10N+
Molecular Weight72.13 g/mol
Exact Mass72.08
IUPAC Name1,2-dimethylaziridin-1-ium
SMILESCC1C[NH+]1C
InChIInChI=1S/C4H9N/c1-4-3-5(4)2/h4H,3H2,1-2H3/p+1
InChIKeyLDUKCCKFNKIVMS-UHFFFAOYSA-O
XLogP-1.10
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50072.13
LogP ≤ 5-1.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

1,2,3-trimethylazetidin-1-ium
CID 163413657
(2S,4R,5R)-1,2,5-trimethylpiperidin-1-ium-4-ol
CID 7201099
(NZ)-N-[(2R,5S)-1,2,5-trimethylpiperidin-1-ium-4-ylidene]hydroxylamine
CID 7289638
(2S,6S)-1,2,4,7-tetramethyl-6-propan-2-yl-1,4,7-triazonane-1,4-diium dibromide
CID 139190526
3-iodo-1,2,3-trimethyl-1,3-azaphosphetidine-1,3-diium
CID 163561409
(2S,5R)-1,2,5-trimethylpiperidin-1-ium-3-one
CID 7201180
2-methylpropyl-[(2S,4R,5R)-1,2,5-trimethylpiperidin-1-ium-4-yl]azanium
CID 7714562
1,2-dimethylpyrrolidin-1-ium acetate
CID 171570831
2-methyl-1-oxidoazetidin-1-ium
CID 173207322
(5S,6R,9R)-6,8,9-trimethyl-1,3-diaza-8-azoniaspiro[4.5]decane-2,4-dithione
CID 7360627
(2R,5R)-5-tert-butyl-1,2-dimethylpiperidin-1-ium-3-one
CID 7201222
(2S,3R,5S)-1,5-dimethyl-2-propan-2-ylpiperidin-1-ium-3-ol
CID 6984969

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylaziridin-1-ium?
The IUPAC name of 1,2-dimethylaziridin-1-ium (CID 59383272) is 1,2-dimethylaziridin-1-ium.
What is the SMILES notation for 1,2-dimethylaziridin-1-ium?
The canonical SMILES for 1,2-dimethylaziridin-1-ium is CC1C[NH+]1C.
What is the InChIKey of 1,2-dimethylaziridin-1-ium?
The InChIKey is LDUKCCKFNKIVMS-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H9N/c1-4-3-5(4)2/h4H,3H2,1-2H3/p+1.
What are the key properties of 1,2-dimethylaziridin-1-ium?
1,2-dimethylaziridin-1-ium has a molecular weight of 72.13 g/mol, XLogP of -1.10, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylaziridin-1-ium is sourced from PubChem (CID 59383272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).