3-phenyl-N,N-bis(3-phenylprop-2-ynyl)prop-2-yn-1-amine

C27H21N — CID 15357894

IUPAC3-phenyl-N,N-bis(3-phenylprop-2-ynyl)prop-2-yn-1-amine
SMILESC(#Cc1ccccc1)CN(CC#Cc1ccccc1)CC#Cc1ccccc1
InChIInChI=1S/C27H21N/c1-4-13-25(14-5-1)19-10-22-28(23-11-20-26-15-6-2-7-16-26)24-12-21-27-17-8-3-9-18-27/h1-9,13-18H,22-24H2
InChIKeyXJVAREAGHPUMJK-UHFFFAOYSA-N
MW359.47 g/mol
LogP4.44
Rot. Bonds3

About 3-phenyl-N,N-bis(3-phenylprop-2-ynyl)prop-2-yn-1-amine

3-phenyl-N,N-bis(3-phenylprop-2-ynyl)prop-2-yn-1-amine (PubChem CID 15357894) has the molecular formula C27H21N and a molecular weight of 359.47 g/mol. Its IUPAC name is 3-phenyl-N,N-bis(3-phenylprop-2-ynyl)prop-2-yn-1-amine.

Molecular Properties

Compound Name3-phenyl-N,N-bis(3-phenylprop-2-ynyl)prop-2-yn-1-amine
PubChem CID15357894
Molecular FormulaC27H21N
Molecular Weight359.47 g/mol
Exact Mass359.17
IUPAC Name3-phenyl-N,N-bis(3-phenylprop-2-ynyl)prop-2-yn-1-amine
SMILESC(#Cc1ccccc1)CN(CC#Cc1ccccc1)CC#Cc1ccccc1
InChIInChI=1S/C27H21N/c1-4-13-25(14-5-1)19-10-22-28(23-11-20-26-15-6-2-7-16-26)24-12-21-27-17-8-3-9-18-27/h1-9,13-18H,22-24H2
InChIKeyXJVAREAGHPUMJK-UHFFFAOYSA-N
XLogP4.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Alverine
CID 3678
Tribenzylamine
CID 24321
1-(3-Phenyl-2-propyn-1-yl)piperidine
CID 200711
(5,5-Diphenyl-pentyl)-methyl-phenethyl-amine
CID 44310858
(5,5-Diphenyl-pent-4-enyl)-methyl-phenethyl-amine
CID 44310861
N,N-Diethyl-3-phenyl-2-propyn-1-amine
CID 123402
Methyl(3-phenylprop-2-yn-1-yl)(prop-2-en-1-yl)amine
CID 12284266
1,1-Bis-(3-phenyl-prop-2-ynyl)-pyrrolidinium
CID 12004710
4-Benzhydrylidene-1-(4-phenyl-butyl)-piperidine
CID 10091257
4-Phenyl-1-(4-phenyl-but-3-ynyl)-1,2,3,6-tetrahydro-pyridine
CID 10827160
1,1-Bis-(3-p-tolyl-prop-2-ynyl)-piperidinium
CID 12005591
1-(4-Phenylbut-3-ynyl)piperidine
CID 45482498

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N,N-bis(3-phenylprop-2-ynyl)prop-2-yn-1-amine?
The IUPAC name of 3-phenyl-N,N-bis(3-phenylprop-2-ynyl)prop-2-yn-1-amine (CID 15357894) is 3-phenyl-N,N-bis(3-phenylprop-2-ynyl)prop-2-yn-1-amine.
What is the SMILES notation for 3-phenyl-N,N-bis(3-phenylprop-2-ynyl)prop-2-yn-1-amine?
The canonical SMILES for 3-phenyl-N,N-bis(3-phenylprop-2-ynyl)prop-2-yn-1-amine is C(#Cc1ccccc1)CN(CC#Cc1ccccc1)CC#Cc1ccccc1.
What is the InChIKey of 3-phenyl-N,N-bis(3-phenylprop-2-ynyl)prop-2-yn-1-amine?
The InChIKey is XJVAREAGHPUMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N/c1-4-13-25(14-5-1)19-10-22-28(23-11-20-26-15-6-2-7-16-26)24-12-21-27-17-8-3-9-18-27/h1-9,13-18H,22-24H2.
What are the key properties of 3-phenyl-N,N-bis(3-phenylprop-2-ynyl)prop-2-yn-1-amine?
3-phenyl-N,N-bis(3-phenylprop-2-ynyl)prop-2-yn-1-amine has a molecular weight of 359.47 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N,N-bis(3-phenylprop-2-ynyl)prop-2-yn-1-amine is sourced from PubChem (CID 15357894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).