5-phenyl-N-(3-phenylpropyl)pentan-1-amine

C20H27N — CID 18790194

IUPAC5-phenyl-N-(3-phenylpropyl)pentan-1-amine
SMILESc1ccc(CCCCCNCCCc2ccccc2)cc1
InChIInChI=1S/C20H27N/c1-4-11-19(12-5-1)15-8-3-9-17-21-18-10-16-20-13-6-2-7-14-20/h1-2,4-7,11-14,21H,3,8-10,15-18H2
InChIKeyAJSIQCIDDUBUCR-UHFFFAOYSA-N
MW281.44 g/mol
LogP4.62
Rot. Bonds10

About 5-phenyl-N-(3-phenylpropyl)pentan-1-amine

5-phenyl-N-(3-phenylpropyl)pentan-1-amine (PubChem CID 18790194) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is 5-phenyl-N-(3-phenylpropyl)pentan-1-amine.

Molecular Properties

Compound Name5-phenyl-N-(3-phenylpropyl)pentan-1-amine
PubChem CID18790194
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC Name5-phenyl-N-(3-phenylpropyl)pentan-1-amine
SMILESc1ccc(CCCCCNCCCc2ccccc2)cc1
InChIInChI=1S/C20H27N/c1-4-11-19(12-5-1)15-8-3-9-17-21-18-10-16-20-13-6-2-7-14-20/h1-2,4-7,11-14,21H,3,8-10,15-18H2
InChIKeyAJSIQCIDDUBUCR-UHFFFAOYSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-(3-phenylpropyl)pentan-1-amine?
The IUPAC name of 5-phenyl-N-(3-phenylpropyl)pentan-1-amine (CID 18790194) is 5-phenyl-N-(3-phenylpropyl)pentan-1-amine.
What is the SMILES notation for 5-phenyl-N-(3-phenylpropyl)pentan-1-amine?
The canonical SMILES for 5-phenyl-N-(3-phenylpropyl)pentan-1-amine is c1ccc(CCCCCNCCCc2ccccc2)cc1.
What is the InChIKey of 5-phenyl-N-(3-phenylpropyl)pentan-1-amine?
The InChIKey is AJSIQCIDDUBUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N/c1-4-11-19(12-5-1)15-8-3-9-17-21-18-10-16-20-13-6-2-7-14-20/h1-2,4-7,11-14,21H,3,8-10,15-18H2.
What are the key properties of 5-phenyl-N-(3-phenylpropyl)pentan-1-amine?
5-phenyl-N-(3-phenylpropyl)pentan-1-amine has a molecular weight of 281.44 g/mol, XLogP of 4.62, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-(3-phenylpropyl)pentan-1-amine is sourced from PubChem (CID 18790194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).