3,3-dimethylazetidine

C5H11N — CID 12674607

IUPAC3,3-dimethylazetidine
SMILESCC1(C)CNC1
InChIInChI=1S/C5H11N/c1-5(2)3-6-4-5/h6H,3-4H2,1-2H3
InChIKeyRLVVIGIYIMDCAU-UHFFFAOYSA-N
MW85.15 g/mol
LogP0.62
Rot. Bonds

About 3,3-dimethylazetidine

3,3-dimethylazetidine (PubChem CID 12674607) has the molecular formula C5H11N and a molecular weight of 85.15 g/mol. Its IUPAC name is 3,3-dimethylazetidine.

Molecular Properties

Compound Name3,3-dimethylazetidine
PubChem CID12674607
Molecular FormulaC5H11N
Molecular Weight85.15 g/mol
Exact Mass85.09
IUPAC Name3,3-dimethylazetidine
SMILESCC1(C)CNC1
InChIInChI=1S/C5H11N/c1-5(2)3-6-4-5/h6H,3-4H2,1-2H3
InChIKeyRLVVIGIYIMDCAU-UHFFFAOYSA-N
XLogP0.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50085.15
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylazetidine?
The IUPAC name of 3,3-dimethylazetidine (CID 12674607) is 3,3-dimethylazetidine.
What is the SMILES notation for 3,3-dimethylazetidine?
The canonical SMILES for 3,3-dimethylazetidine is CC1(C)CNC1.
What is the InChIKey of 3,3-dimethylazetidine?
The InChIKey is RLVVIGIYIMDCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N/c1-5(2)3-6-4-5/h6H,3-4H2,1-2H3.
What are the key properties of 3,3-dimethylazetidine?
3,3-dimethylazetidine has a molecular weight of 85.15 g/mol, XLogP of 0.62, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylazetidine is sourced from PubChem (CID 12674607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).