1,3,3-trimethylazetidine

C6H13N — CID 18461781

IUPAC1,3,3-trimethylazetidine
SMILESCN1CC(C)(C)C1
InChIInChI=1S/C6H13N/c1-6(2)4-7(3)5-6/h4-5H2,1-3H3
InChIKeyIOHJRUFWMYLKED-UHFFFAOYSA-N
MW99.18 g/mol
LogP0.96
Rot. Bonds

About 1,3,3-trimethylazetidine

1,3,3-trimethylazetidine (PubChem CID 18461781) has the molecular formula C6H13N and a molecular weight of 99.18 g/mol. Its IUPAC name is 1,3,3-trimethylazetidine.

Molecular Properties

Compound Name1,3,3-trimethylazetidine
PubChem CID18461781
Molecular FormulaC6H13N
Molecular Weight99.18 g/mol
Exact Mass99.10
IUPAC Name1,3,3-trimethylazetidine
SMILESCN1CC(C)(C)C1
InChIInChI=1S/C6H13N/c1-6(2)4-7(3)5-6/h4-5H2,1-3H3
InChIKeyIOHJRUFWMYLKED-UHFFFAOYSA-N
XLogP0.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.18
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3,3-trimethylazetidine?
The IUPAC name of 1,3,3-trimethylazetidine (CID 18461781) is 1,3,3-trimethylazetidine.
What is the SMILES notation for 1,3,3-trimethylazetidine?
The canonical SMILES for 1,3,3-trimethylazetidine is CN1CC(C)(C)C1.
What is the InChIKey of 1,3,3-trimethylazetidine?
The InChIKey is IOHJRUFWMYLKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N/c1-6(2)4-7(3)5-6/h4-5H2,1-3H3.
What are the key properties of 1,3,3-trimethylazetidine?
1,3,3-trimethylazetidine has a molecular weight of 99.18 g/mol, XLogP of 0.96, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trimethylazetidine is sourced from PubChem (CID 18461781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).