1,3-dimethylazetidine

C5H11N — CID 535545

IUPAC1,3-dimethylazetidine
SMILESCC1CN(C)C1
InChIInChI=1S/C5H11N/c1-5-3-6(2)4-5/h5H,3-4H2,1-2H3
InChIKeyILBZSNOGPTUKHC-UHFFFAOYSA-N
MW85.15 g/mol
LogP0.57
Rot. Bonds

About 1,3-dimethylazetidine

1,3-dimethylazetidine (PubChem CID 535545) has the molecular formula C5H11N and a molecular weight of 85.15 g/mol. Its IUPAC name is 1,3-dimethylazetidine.

Molecular Properties

Compound Name1,3-dimethylazetidine
PubChem CID535545
Molecular FormulaC5H11N
Molecular Weight85.15 g/mol
Exact Mass85.09
IUPAC Name1,3-dimethylazetidine
SMILESCC1CN(C)C1
InChIInChI=1S/C5H11N/c1-5-3-6(2)4-5/h5H,3-4H2,1-2H3
InChIKeyILBZSNOGPTUKHC-UHFFFAOYSA-N
XLogP0.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50085.15
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylazetidine?
The IUPAC name of 1,3-dimethylazetidine (CID 535545) is 1,3-dimethylazetidine.
What is the SMILES notation for 1,3-dimethylazetidine?
The canonical SMILES for 1,3-dimethylazetidine is CC1CN(C)C1.
What is the InChIKey of 1,3-dimethylazetidine?
The InChIKey is ILBZSNOGPTUKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N/c1-5-3-6(2)4-5/h5H,3-4H2,1-2H3.
What are the key properties of 1,3-dimethylazetidine?
1,3-dimethylazetidine has a molecular weight of 85.15 g/mol, XLogP of 0.57, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylazetidine is sourced from PubChem (CID 535545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).