2-(naphthalen-1-ylamino)propanenitrile

C13H12N2 — CID 57213700

IUPAC2-(naphthalen-1-ylamino)propanenitrile
SMILESCC(C#N)Nc1cccc2ccccc12
InChIInChI=1S/C13H12N2/c1-10(9-14)15-13-8-4-6-11-5-2-3-7-12(11)13/h2-8,10,15H,1H3
InChIKeyWFUOBBAFWGYTOO-UHFFFAOYSA-N
MW196.25 g/mol
LogP3.16
Rot. Bonds2

About 2-(naphthalen-1-ylamino)propanenitrile

2-(naphthalen-1-ylamino)propanenitrile (PubChem CID 57213700) has the molecular formula C13H12N2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-(naphthalen-1-ylamino)propanenitrile.

Molecular Properties

Compound Name2-(naphthalen-1-ylamino)propanenitrile
PubChem CID57213700
Molecular FormulaC13H12N2
Molecular Weight196.25 g/mol
Exact Mass196.10
IUPAC Name2-(naphthalen-1-ylamino)propanenitrile
SMILESCC(C#N)Nc1cccc2ccccc12
InChIInChI=1S/C13H12N2/c1-10(9-14)15-13-8-4-6-11-5-2-3-7-12(11)13/h2-8,10,15H,1H3
InChIKeyWFUOBBAFWGYTOO-UHFFFAOYSA-N
XLogP3.16
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1-aminonaphthalen-2-yl)amino]propanenitrile
CID 23196314
1-(1-cyanoethyl)-3-naphthalen-1-ylurea
CID 54904343
2-methyl-3-(naphthalen-1-ylamino)propanenitrile
CID 43245410
1-N'-naphthalen-1-ylethane-1,1-diamine;dihydrochloride
CID 174599012
2-(naphthalen-1-ylamino)-2-nitroacetonitrile
CID 19706669
2-(naphthalen-1-ylamino)propan-1-ol
CID 19963404
2-(2-phenylanilino)propanenitrile
CID 54941632
2-(2-benzylanilino)propanenitrile
CID 54941633
N-(1-cyanoethyl)naphthalene-1-sulfonamide
CID 115766500
azane;(2S)-2-(naphthalen-1-ylamino)propanoic acid
CID 66694712
N-hexan-2-ylnaphthalen-1-amine
CID 43757471
N-[1-(2-bromophenyl)ethyl]naphthalen-1-amine
CID 43111727

Frequently Asked Questions

What is the IUPAC name of 2-(naphthalen-1-ylamino)propanenitrile?
The IUPAC name of 2-(naphthalen-1-ylamino)propanenitrile (CID 57213700) is 2-(naphthalen-1-ylamino)propanenitrile.
What is the SMILES notation for 2-(naphthalen-1-ylamino)propanenitrile?
The canonical SMILES for 2-(naphthalen-1-ylamino)propanenitrile is CC(C#N)Nc1cccc2ccccc12.
What is the InChIKey of 2-(naphthalen-1-ylamino)propanenitrile?
The InChIKey is WFUOBBAFWGYTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2/c1-10(9-14)15-13-8-4-6-11-5-2-3-7-12(11)13/h2-8,10,15H,1H3.
What are the key properties of 2-(naphthalen-1-ylamino)propanenitrile?
2-(naphthalen-1-ylamino)propanenitrile has a molecular weight of 196.25 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(naphthalen-1-ylamino)propanenitrile is sourced from PubChem (CID 57213700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).