5-phenyl-2-(3-phenylprop-2-ynyl)pent-4-yn-1-amine

C20H19N — CID 102390055

IUPAC5-phenyl-2-(3-phenylprop-2-ynyl)pent-4-yn-1-amine
SMILESNCC(CC#Cc1ccccc1)CC#Cc1ccccc1
InChIInChI=1S/C20H19N/c21-17-20(15-7-13-18-9-3-1-4-10-18)16-8-14-19-11-5-2-6-12-19/h1-6,9-12,20H,15-17,21H2
InChIKeyNLSVVOJUIXQHRP-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.44
Rot. Bonds3

About 5-phenyl-2-(3-phenylprop-2-ynyl)pent-4-yn-1-amine

5-phenyl-2-(3-phenylprop-2-ynyl)pent-4-yn-1-amine (PubChem CID 102390055) has the molecular formula C20H19N and a molecular weight of 273.38 g/mol. Its IUPAC name is 5-phenyl-2-(3-phenylprop-2-ynyl)pent-4-yn-1-amine.

Molecular Properties

Compound Name5-phenyl-2-(3-phenylprop-2-ynyl)pent-4-yn-1-amine
PubChem CID102390055
Molecular FormulaC20H19N
Molecular Weight273.38 g/mol
Exact Mass273.15
IUPAC Name5-phenyl-2-(3-phenylprop-2-ynyl)pent-4-yn-1-amine
SMILESNCC(CC#Cc1ccccc1)CC#Cc1ccccc1
InChIInChI=1S/C20H19N/c21-17-20(15-7-13-18-9-3-1-4-10-18)16-8-14-19-11-5-2-6-12-19/h1-6,9-12,20H,15-17,21H2
InChIKeyNLSVVOJUIXQHRP-UHFFFAOYSA-N
XLogP3.44
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-(3-phenylprop-2-ynyl)pent-4-yn-1-amine?
The IUPAC name of 5-phenyl-2-(3-phenylprop-2-ynyl)pent-4-yn-1-amine (CID 102390055) is 5-phenyl-2-(3-phenylprop-2-ynyl)pent-4-yn-1-amine.
What is the SMILES notation for 5-phenyl-2-(3-phenylprop-2-ynyl)pent-4-yn-1-amine?
The canonical SMILES for 5-phenyl-2-(3-phenylprop-2-ynyl)pent-4-yn-1-amine is NCC(CC#Cc1ccccc1)CC#Cc1ccccc1.
What is the InChIKey of 5-phenyl-2-(3-phenylprop-2-ynyl)pent-4-yn-1-amine?
The InChIKey is NLSVVOJUIXQHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N/c21-17-20(15-7-13-18-9-3-1-4-10-18)16-8-14-19-11-5-2-6-12-19/h1-6,9-12,20H,15-17,21H2.
What are the key properties of 5-phenyl-2-(3-phenylprop-2-ynyl)pent-4-yn-1-amine?
5-phenyl-2-(3-phenylprop-2-ynyl)pent-4-yn-1-amine has a molecular weight of 273.38 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2-(3-phenylprop-2-ynyl)pent-4-yn-1-amine is sourced from PubChem (CID 102390055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).