3-(2-methylpentyl)-3-phenylazetidine

C15H23N — CID 79451361

IUPAC3-(2-methylpentyl)-3-phenylazetidine
SMILESCCCC(C)CC1(c2ccccc2)CNC1
InChIInChI=1S/C15H23N/c1-3-7-13(2)10-15(11-16-12-15)14-8-5-4-6-9-14/h4-6,8-9,13,16H,3,7,10-12H2,1-2H3
InChIKeySGSBKIYYJXDTNA-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.35
Rot. Bonds5

About 3-(2-methylpentyl)-3-phenylazetidine

3-(2-methylpentyl)-3-phenylazetidine (PubChem CID 79451361) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 3-(2-methylpentyl)-3-phenylazetidine.

Molecular Properties

Compound Name3-(2-methylpentyl)-3-phenylazetidine
PubChem CID79451361
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name3-(2-methylpentyl)-3-phenylazetidine
SMILESCCCC(C)CC1(c2ccccc2)CNC1
InChIInChI=1S/C15H23N/c1-3-7-13(2)10-15(11-16-12-15)14-8-5-4-6-9-14/h4-6,8-9,13,16H,3,7,10-12H2,1-2H3
InChIKeySGSBKIYYJXDTNA-UHFFFAOYSA-N
XLogP3.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(2-methylpentyl)-3-phenylazetidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpentyl)-3-phenylazetidine?
The IUPAC name of 3-(2-methylpentyl)-3-phenylazetidine (CID 79451361) is 3-(2-methylpentyl)-3-phenylazetidine.
What is the SMILES notation for 3-(2-methylpentyl)-3-phenylazetidine?
The canonical SMILES for 3-(2-methylpentyl)-3-phenylazetidine is CCCC(C)CC1(c2ccccc2)CNC1.
What is the InChIKey of 3-(2-methylpentyl)-3-phenylazetidine?
The InChIKey is SGSBKIYYJXDTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-3-7-13(2)10-15(11-16-12-15)14-8-5-4-6-9-14/h4-6,8-9,13,16H,3,7,10-12H2,1-2H3.
What are the key properties of 3-(2-methylpentyl)-3-phenylazetidine?
3-(2-methylpentyl)-3-phenylazetidine has a molecular weight of 217.36 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpentyl)-3-phenylazetidine is sourced from PubChem (CID 79451361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).