5-[2-(2-azidophenyl)ethylamino]-2,2-diphenylpentanenitrile

C25H25N5 — CID 10318534

IUPAC5-[2-(2-azidophenyl)ethylamino]-2,2-diphenylpentanenitrile
SMILESN#CC(CCCNCCc1ccccc1N=[N+]=[N-])(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H25N5/c26-20-25(22-11-3-1-4-12-22,23-13-5-2-6-14-23)17-9-18-28-19-16-21-10-7-8-15-24(21)29-30-27/h1-8,10-15,28H,9,16-19H2
InChIKeyCNVIEHBUWKCWKL-UHFFFAOYSA-N
MW395.51 g/mol
LogP6.05
Rot. Bonds10

About 5-[2-(2-azidophenyl)ethylamino]-2,2-diphenylpentanenitrile

5-[2-(2-azidophenyl)ethylamino]-2,2-diphenylpentanenitrile (PubChem CID 10318534) has the molecular formula C25H25N5 and a molecular weight of 395.51 g/mol. Its IUPAC name is 5-[2-(2-azidophenyl)ethylamino]-2,2-diphenylpentanenitrile.

Molecular Properties

Compound Name5-[2-(2-azidophenyl)ethylamino]-2,2-diphenylpentanenitrile
PubChem CID10318534
Molecular FormulaC25H25N5
Molecular Weight395.51 g/mol
Exact Mass395.21
IUPAC Name5-[2-(2-azidophenyl)ethylamino]-2,2-diphenylpentanenitrile
SMILESN#CC(CCCNCCc1ccccc1N=[N+]=[N-])(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H25N5/c26-20-25(22-11-3-1-4-12-22,23-13-5-2-6-14-23)17-9-18-28-19-16-21-10-7-8-15-24(21)29-30-27/h1-8,10-15,28H,9,16-19H2
InChIKeyCNVIEHBUWKCWKL-UHFFFAOYSA-N
XLogP6.05
TPSA84.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.51
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

3-(2-azidophenyl)-N-ethylpropan-1-amine
CID 11790330
1-azido-2-(2-phenylethyl)benzene
CID 10059466
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CID 121416300
6,6-dimethyl-2,2-diphenylheptanenitrile
CID 122487139
2,2-diphenyloctadecanenitrile
CID 154150395
(4-cyano-4,4-diphenylbutyl)-trimethylazanium
CID 134117596
1-azido-2-(3-benzylsulfanylpropyl)benzene
CID 10493251
(2-azidophenyl)methanamine
CID 10997194
1-[(2-azidophenyl)methyl]-2-phenylhydrazine
CID 169386568
5-(2-aminoethylamino)-2-ethyl-2-phenylpentanenitrile
CID 18789771
(2S)-2-amino-4-(2-azidophenyl)butanoic acid
CID 172530036
4-[2-(2-fluorophenyl)ethylamino]-2,2-dimethylbutanenitrile
CID 65248609

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-azidophenyl)ethylamino]-2,2-diphenylpentanenitrile?
The IUPAC name of 5-[2-(2-azidophenyl)ethylamino]-2,2-diphenylpentanenitrile (CID 10318534) is 5-[2-(2-azidophenyl)ethylamino]-2,2-diphenylpentanenitrile.
What is the SMILES notation for 5-[2-(2-azidophenyl)ethylamino]-2,2-diphenylpentanenitrile?
The canonical SMILES for 5-[2-(2-azidophenyl)ethylamino]-2,2-diphenylpentanenitrile is N#CC(CCCNCCc1ccccc1N=[N+]=[N-])(c1ccccc1)c1ccccc1.
What is the InChIKey of 5-[2-(2-azidophenyl)ethylamino]-2,2-diphenylpentanenitrile?
The InChIKey is CNVIEHBUWKCWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5/c26-20-25(22-11-3-1-4-12-22,23-13-5-2-6-14-23)17-9-18-28-19-16-21-10-7-8-15-24(21)29-30-27/h1-8,10-15,28H,9,16-19H2.
What are the key properties of 5-[2-(2-azidophenyl)ethylamino]-2,2-diphenylpentanenitrile?
5-[2-(2-azidophenyl)ethylamino]-2,2-diphenylpentanenitrile has a molecular weight of 395.51 g/mol, XLogP of 6.05, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-azidophenyl)ethylamino]-2,2-diphenylpentanenitrile is sourced from PubChem (CID 10318534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).