3-ethyl-3-methylazetidine

C6H13N — CID 23545028

IUPAC3-ethyl-3-methylazetidine
SMILESCCC1(C)CNC1
InChIInChI=1S/C6H13N/c1-3-6(2)4-7-5-6/h7H,3-5H2,1-2H3
InChIKeyJCGWCOCQLMXRKE-UHFFFAOYSA-N
MW99.18 g/mol
LogP1.01
Rot. Bonds1

About 3-ethyl-3-methylazetidine

3-ethyl-3-methylazetidine (PubChem CID 23545028) has the molecular formula C6H13N and a molecular weight of 99.18 g/mol. Its IUPAC name is 3-ethyl-3-methylazetidine.

Molecular Properties

Compound Name3-ethyl-3-methylazetidine
PubChem CID23545028
Molecular FormulaC6H13N
Molecular Weight99.18 g/mol
Exact Mass99.10
IUPAC Name3-ethyl-3-methylazetidine
SMILESCCC1(C)CNC1
InChIInChI=1S/C6H13N/c1-3-6(2)4-7-5-6/h7H,3-5H2,1-2H3
InChIKeyJCGWCOCQLMXRKE-UHFFFAOYSA-N
XLogP1.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.18
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-methylazetidine?
The IUPAC name of 3-ethyl-3-methylazetidine (CID 23545028) is 3-ethyl-3-methylazetidine.
What is the SMILES notation for 3-ethyl-3-methylazetidine?
The canonical SMILES for 3-ethyl-3-methylazetidine is CCC1(C)CNC1.
What is the InChIKey of 3-ethyl-3-methylazetidine?
The InChIKey is JCGWCOCQLMXRKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N/c1-3-6(2)4-7-5-6/h7H,3-5H2,1-2H3.
What are the key properties of 3-ethyl-3-methylazetidine?
3-ethyl-3-methylazetidine has a molecular weight of 99.18 g/mol, XLogP of 1.01, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-methylazetidine is sourced from PubChem (CID 23545028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).