3-butyl-3-phenylazetidine

C13H19N — CID 23637

IUPAC3-butyl-3-phenylazetidine
SMILESCCCCC1(c2ccccc2)CNC1
InChIInChI=1S/C13H19N/c1-2-3-9-13(10-14-11-13)12-7-5-4-6-8-12/h4-8,14H,2-3,9-11H2,1H3
InChIKeyFUZSHSPOYAFLEY-UHFFFAOYSA-N
MW189.30 g/mol
LogP2.72
Rot. Bonds4

About 3-butyl-3-phenylazetidine

3-butyl-3-phenylazetidine (PubChem CID 23637) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 3-butyl-3-phenylazetidine.

Molecular Properties

Compound Name3-butyl-3-phenylazetidine
PubChem CID23637
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name3-butyl-3-phenylazetidine
SMILESCCCCC1(c2ccccc2)CNC1
InChIInChI=1S/C13H19N/c1-2-3-9-13(10-14-11-13)12-7-5-4-6-8-12/h4-8,14H,2-3,9-11H2,1H3
InChIKeyFUZSHSPOYAFLEY-UHFFFAOYSA-N
XLogP2.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-3-phenylazetidine?
The IUPAC name of 3-butyl-3-phenylazetidine (CID 23637) is 3-butyl-3-phenylazetidine.
What is the SMILES notation for 3-butyl-3-phenylazetidine?
The canonical SMILES for 3-butyl-3-phenylazetidine is CCCCC1(c2ccccc2)CNC1.
What is the InChIKey of 3-butyl-3-phenylazetidine?
The InChIKey is FUZSHSPOYAFLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-2-3-9-13(10-14-11-13)12-7-5-4-6-8-12/h4-8,14H,2-3,9-11H2,1H3.
What are the key properties of 3-butyl-3-phenylazetidine?
3-butyl-3-phenylazetidine has a molecular weight of 189.30 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-3-phenylazetidine is sourced from PubChem (CID 23637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).