1-methyl-1,3-diazetidine

C3H8N2 — CID 20702282

IUPAC1-methyl-1,3-diazetidine
SMILESCN1CNC1
InChIInChI=1S/C3H8N2/c1-5-2-4-3-5/h4H,2-3H2,1H3
InChIKeyLEEZEYPHLVGCPB-UHFFFAOYSA-N
MW72.11 g/mol
LogP-0.56
Rot. Bonds

About 1-methyl-1,3-diazetidine

1-methyl-1,3-diazetidine (PubChem CID 20702282) has the molecular formula C3H8N2 and a molecular weight of 72.11 g/mol. Its IUPAC name is 1-methyl-1,3-diazetidine.

Molecular Properties

Compound Name1-methyl-1,3-diazetidine
PubChem CID20702282
Molecular FormulaC3H8N2
Molecular Weight72.11 g/mol
Exact Mass72.07
IUPAC Name1-methyl-1,3-diazetidine
SMILESCN1CNC1
InChIInChI=1S/C3H8N2/c1-5-2-4-3-5/h4H,2-3H2,1H3
InChIKeyLEEZEYPHLVGCPB-UHFFFAOYSA-N
XLogP-0.56
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50072.11
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1,3,5-triazinan-1-amine
CID 144981078
1-methylimidazolidine;dihydrochloride
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CID 59906329
3-methyl-7-(1,3,5,7-tetrazabicyclo[3.3.1]nonan-3-ylmethyl)-1,3,5,7-tetrazabicyclo[3.3.1]nonane
CID 102333919
1-methylpiperazine;dihydrochloride
CID 2734715
1,4,7,10-tetramethyl-1,4,7,10,13-pentazacyclopentadecane
CID 13461315
1-methyl-1,4,7,10,13-pentazacyclopentadecane
CID 18705592
alumane;1-methylpiperazine
CID 173336720
ethane;1-methylpiperazine
CID 91350928
1-methylpiperazine;hydrate
CID 23128681
cyclopropane;1-methylpiperazine
CID 166166790
potassium;hydride;1-methylpiperazine
CID 174652278

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1,3-diazetidine?
The IUPAC name of 1-methyl-1,3-diazetidine (CID 20702282) is 1-methyl-1,3-diazetidine.
What is the SMILES notation for 1-methyl-1,3-diazetidine?
The canonical SMILES for 1-methyl-1,3-diazetidine is CN1CNC1.
What is the InChIKey of 1-methyl-1,3-diazetidine?
The InChIKey is LEEZEYPHLVGCPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N2/c1-5-2-4-3-5/h4H,2-3H2,1H3.
What are the key properties of 1-methyl-1,3-diazetidine?
1-methyl-1,3-diazetidine has a molecular weight of 72.11 g/mol, XLogP of -0.56, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1,3-diazetidine is sourced from PubChem (CID 20702282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).