2-amino-4-phenyl-5,6,7,8-tetrahydronaphthalene-1,3-dicarbonitrile

C18H15N3 — CID 668106

IUPAC2-amino-4-phenyl-5,6,7,8-tetrahydronaphthalene-1,3-dicarbonitrile
SMILESN#Cc1c(N)c(C#N)c(-c2ccccc2)c2c1CCCC2
InChIInChI=1S/C18H15N3/c19-10-15-13-8-4-5-9-14(13)17(16(11-20)18(15)21)12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-9,21H2
InChIKeyAYONILJEROJJFQ-UHFFFAOYSA-N
MW273.34 g/mol
LogP3.56
Rot. Bonds1

About 2-amino-4-phenyl-5,6,7,8-tetrahydronaphthalene-1,3-dicarbonitrile

2-amino-4-phenyl-5,6,7,8-tetrahydronaphthalene-1,3-dicarbonitrile (PubChem CID 668106) has the molecular formula C18H15N3 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-amino-4-phenyl-5,6,7,8-tetrahydronaphthalene-1,3-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-phenyl-5,6,7,8-tetrahydronaphthalene-1,3-dicarbonitrile
PubChem CID668106
Molecular FormulaC18H15N3
Molecular Weight273.34 g/mol
Exact Mass273.13
IUPAC Name2-amino-4-phenyl-5,6,7,8-tetrahydronaphthalene-1,3-dicarbonitrile
SMILESN#Cc1c(N)c(C#N)c(-c2ccccc2)c2c1CCCC2
InChIInChI=1S/C18H15N3/c19-10-15-13-8-4-5-9-14(13)17(16(11-20)18(15)21)12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-9,21H2
InChIKeyAYONILJEROJJFQ-UHFFFAOYSA-N
XLogP3.56
TPSA73.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-phenyl-5,6,7,8-tetrahydronaphthalene-1,3-dicarbonitrile?
The IUPAC name of 2-amino-4-phenyl-5,6,7,8-tetrahydronaphthalene-1,3-dicarbonitrile (CID 668106) is 2-amino-4-phenyl-5,6,7,8-tetrahydronaphthalene-1,3-dicarbonitrile.
What is the SMILES notation for 2-amino-4-phenyl-5,6,7,8-tetrahydronaphthalene-1,3-dicarbonitrile?
The canonical SMILES for 2-amino-4-phenyl-5,6,7,8-tetrahydronaphthalene-1,3-dicarbonitrile is N#Cc1c(N)c(C#N)c(-c2ccccc2)c2c1CCCC2.
What is the InChIKey of 2-amino-4-phenyl-5,6,7,8-tetrahydronaphthalene-1,3-dicarbonitrile?
The InChIKey is AYONILJEROJJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3/c19-10-15-13-8-4-5-9-14(13)17(16(11-20)18(15)21)12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-9,21H2.
What are the key properties of 2-amino-4-phenyl-5,6,7,8-tetrahydronaphthalene-1,3-dicarbonitrile?
2-amino-4-phenyl-5,6,7,8-tetrahydronaphthalene-1,3-dicarbonitrile has a molecular weight of 273.34 g/mol, XLogP of 3.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-phenyl-5,6,7,8-tetrahydronaphthalene-1,3-dicarbonitrile is sourced from PubChem (CID 668106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).