3-cyclohexyl-3-phenylazetidine

C15H21N — CID 23639

IUPAC3-cyclohexyl-3-phenylazetidine
SMILESc1ccc(C2(C3CCCCC3)CNC2)cc1
InChIInChI=1S/C15H21N/c1-3-7-13(8-4-1)15(11-16-12-15)14-9-5-2-6-10-14/h1,3-4,7-8,14,16H,2,5-6,9-12H2
InChIKeyUNXCICLOVBMXLL-UHFFFAOYSA-N
MW215.34 g/mol
LogP3.11
Rot. Bonds2

About 3-cyclohexyl-3-phenylazetidine

3-cyclohexyl-3-phenylazetidine (PubChem CID 23639) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is 3-cyclohexyl-3-phenylazetidine.

Molecular Properties

Compound Name3-cyclohexyl-3-phenylazetidine
PubChem CID23639
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name3-cyclohexyl-3-phenylazetidine
SMILESc1ccc(C2(C3CCCCC3)CNC2)cc1
InChIInChI=1S/C15H21N/c1-3-7-13(8-4-1)15(11-16-12-15)14-9-5-2-6-10-14/h1,3-4,7-8,14,16H,2,5-6,9-12H2
InChIKeyUNXCICLOVBMXLL-UHFFFAOYSA-N
XLogP3.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Iadademstat
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4-Phenylpiperidine
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CID 20293994

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-3-phenylazetidine?
The IUPAC name of 3-cyclohexyl-3-phenylazetidine (CID 23639) is 3-cyclohexyl-3-phenylazetidine.
What is the SMILES notation for 3-cyclohexyl-3-phenylazetidine?
The canonical SMILES for 3-cyclohexyl-3-phenylazetidine is c1ccc(C2(C3CCCCC3)CNC2)cc1.
What is the InChIKey of 3-cyclohexyl-3-phenylazetidine?
The InChIKey is UNXCICLOVBMXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N/c1-3-7-13(8-4-1)15(11-16-12-15)14-9-5-2-6-10-14/h1,3-4,7-8,14,16H,2,5-6,9-12H2.
What are the key properties of 3-cyclohexyl-3-phenylazetidine?
3-cyclohexyl-3-phenylazetidine has a molecular weight of 215.34 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-3-phenylazetidine is sourced from PubChem (CID 23639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).