2-(benzylamino)-5-phenylpenta-2,4-dienenitrile

C18H16N2 — CID 173209079

IUPAC2-(benzylamino)-5-phenylpenta-2,4-dienenitrile
SMILESN#CC(=CC=Cc1ccccc1)NCc1ccccc1
InChIInChI=1S/C18H16N2/c19-14-18(20-15-17-10-5-2-6-11-17)13-7-12-16-8-3-1-4-9-16/h1-13,20H,15H2
InChIKeyBJCXTJNPOUPXCW-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.90
Rot. Bonds5

About 2-(benzylamino)-5-phenylpenta-2,4-dienenitrile

2-(benzylamino)-5-phenylpenta-2,4-dienenitrile (PubChem CID 173209079) has the molecular formula C18H16N2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-(benzylamino)-5-phenylpenta-2,4-dienenitrile.

Molecular Properties

Compound Name2-(benzylamino)-5-phenylpenta-2,4-dienenitrile
PubChem CID173209079
Molecular FormulaC18H16N2
Molecular Weight260.34 g/mol
Exact Mass260.13
IUPAC Name2-(benzylamino)-5-phenylpenta-2,4-dienenitrile
SMILESN#CC(=CC=Cc1ccccc1)NCc1ccccc1
InChIInChI=1S/C18H16N2/c19-14-18(20-15-17-10-5-2-6-11-17)13-7-12-16-8-3-1-4-9-16/h1-13,20H,15H2
InChIKeyBJCXTJNPOUPXCW-UHFFFAOYSA-N
XLogP3.90
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2Z,4E)-2-ethenyl-5-phenylpenta-2,4-dienenitrile
CID 12034343
2-(7-phenylhepta-2,4,6-trienylidene)propanedinitrile
CID 575621
(2Z,4E)-2-cyano-N-(2-methoxyethyl)-5-phenylpenta-2,4-dienamide
CID 2343498
(2Z,4E)-N-benzyl-2-cyano-5-(2-methoxyphenyl)penta-2,4-dienamide
CID 2351530
(Z)-N-benzyl-2-cyanobut-2-enamide;ethane
CID 156894406
1-phenyl-N-[[(E)-3-phenylprop-2-enylidene]amino]methanamine
CID 110839665
(2E,4E)-2-cyano-N-(3-methoxypropyl)-5-phenylpenta-2,4-dienamide
CID 6076664
N-[1-(benzylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]-5-bromofuran-2-carboxamide
CID 1313005
(2Z,4E)-2-(benzenesulfinyl)-5-phenylpenta-2,4-dienenitrile
CID 155814868
(2E,4Z)-2-(4-fluorophenyl)-5-phenylpenta-2,4-dienenitrile
CID 20836458
(2E,4E)-2-cyano-5-(4-hydroxyphenyl)-N-(3-phenylpropyl)penta-2,4-dienamide;ethane
CID 143111852
1-chloro-4-phenylbuta-1,3-dien-1-ol
CID 88848274

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-5-phenylpenta-2,4-dienenitrile?
The IUPAC name of 2-(benzylamino)-5-phenylpenta-2,4-dienenitrile (CID 173209079) is 2-(benzylamino)-5-phenylpenta-2,4-dienenitrile.
What is the SMILES notation for 2-(benzylamino)-5-phenylpenta-2,4-dienenitrile?
The canonical SMILES for 2-(benzylamino)-5-phenylpenta-2,4-dienenitrile is N#CC(=CC=Cc1ccccc1)NCc1ccccc1.
What is the InChIKey of 2-(benzylamino)-5-phenylpenta-2,4-dienenitrile?
The InChIKey is BJCXTJNPOUPXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2/c19-14-18(20-15-17-10-5-2-6-11-17)13-7-12-16-8-3-1-4-9-16/h1-13,20H,15H2.
What are the key properties of 2-(benzylamino)-5-phenylpenta-2,4-dienenitrile?
2-(benzylamino)-5-phenylpenta-2,4-dienenitrile has a molecular weight of 260.34 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-5-phenylpenta-2,4-dienenitrile is sourced from PubChem (CID 173209079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).