2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)benzene-1,3-dicarbonitrile

C18H15N3 — CID 133498362

IUPAC2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)benzene-1,3-dicarbonitrile
SMILESN#Cc1cccc(C#N)c1NC1CCCc2ccccc21
InChIInChI=1S/C18H15N3/c19-11-14-7-3-8-15(12-20)18(14)21-17-10-4-6-13-5-1-2-9-16(13)17/h1-3,5,7-9,17,21H,4,6,10H2
InChIKeyWOIZFTLMIOPRJC-UHFFFAOYSA-N
MW273.34 g/mol
LogP3.92
Rot. Bonds2

About 2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)benzene-1,3-dicarbonitrile

2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)benzene-1,3-dicarbonitrile (PubChem CID 133498362) has the molecular formula C18H15N3 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)benzene-1,3-dicarbonitrile
PubChem CID133498362
Molecular FormulaC18H15N3
Molecular Weight273.34 g/mol
Exact Mass273.13
IUPAC Name2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)benzene-1,3-dicarbonitrile
SMILESN#Cc1cccc(C#N)c1NC1CCCc2ccccc21
InChIInChI=1S/C18H15N3/c19-11-14-7-3-8-15(12-20)18(14)21-17-10-4-6-13-5-1-2-9-16(13)17/h1-3,5,7-9,17,21H,4,6,10H2
InChIKeyWOIZFTLMIOPRJC-UHFFFAOYSA-N
XLogP3.92
TPSA59.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65470081
2-bromo-4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)benzonitrile
CID 107276271
2-[(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-3-methylbenzonitrile
CID 107111498
6-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyridine-3-carbonitrile
CID 62306461
2-bromo-3-fluoro-4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)benzonitrile
CID 107533583
4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)cinnoline-3-carbonitrile
CID 75792227
4-amino-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidine-5-carbonitrile
CID 67456420
2-fluoro-5-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)benzonitrile
CID 63476587
5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyrazine-2-carbonitrile
CID 63659094
1,3-dimethyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyrazole-4-carbonitrile
CID 63756476
N-(2-chloro-6-nitrophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 63541987
2-(2-cyanophenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 4235995

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)benzene-1,3-dicarbonitrile?
The IUPAC name of 2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)benzene-1,3-dicarbonitrile (CID 133498362) is 2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)benzene-1,3-dicarbonitrile.
What is the SMILES notation for 2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)benzene-1,3-dicarbonitrile?
The canonical SMILES for 2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)benzene-1,3-dicarbonitrile is N#Cc1cccc(C#N)c1NC1CCCc2ccccc21.
What is the InChIKey of 2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)benzene-1,3-dicarbonitrile?
The InChIKey is WOIZFTLMIOPRJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3/c19-11-14-7-3-8-15(12-20)18(14)21-17-10-4-6-13-5-1-2-9-16(13)17/h1-3,5,7-9,17,21H,4,6,10H2.
What are the key properties of 2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)benzene-1,3-dicarbonitrile?
2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)benzene-1,3-dicarbonitrile has a molecular weight of 273.34 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)benzene-1,3-dicarbonitrile is sourced from PubChem (CID 133498362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).