3-[methyl(naphthalen-1-yl)amino]propanenitrile

C14H14N2 — CID 115230840

IUPAC3-[methyl(naphthalen-1-yl)amino]propanenitrile
SMILESCN(CCC#N)c1cccc2ccccc12
InChIInChI=1S/C14H14N2/c1-16(11-5-10-15)14-9-4-7-12-6-2-3-8-13(12)14/h2-4,6-9H,5,11H2,1H3
InChIKeyWVGJXLIJMCZMQG-UHFFFAOYSA-N
MW210.28 g/mol
LogP3.19
Rot. Bonds3

About 3-[methyl(naphthalen-1-yl)amino]propanenitrile

3-[methyl(naphthalen-1-yl)amino]propanenitrile (PubChem CID 115230840) has the molecular formula C14H14N2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-[methyl(naphthalen-1-yl)amino]propanenitrile.

Molecular Properties

Compound Name3-[methyl(naphthalen-1-yl)amino]propanenitrile
PubChem CID115230840
Molecular FormulaC14H14N2
Molecular Weight210.28 g/mol
Exact Mass210.12
IUPAC Name3-[methyl(naphthalen-1-yl)amino]propanenitrile
SMILESCN(CCC#N)c1cccc2ccccc12
InChIInChI=1S/C14H14N2/c1-16(11-5-10-15)14-9-4-7-12-6-2-3-8-13(12)14/h2-4,6-9H,5,11H2,1H3
InChIKeyWVGJXLIJMCZMQG-UHFFFAOYSA-N
XLogP3.19
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[methyl(naphthalen-1-yl)amino]ethanethiol
CID 115223888
N-(2-cyanoethyl)-2-[methyl(naphthalen-1-yl)amino]-N-phenylacetamide
CID 60570475
3-[cinnolin-4-yl(methyl)amino]propanenitrile
CID 63588442
3-[1-(2-cyanoethoxy)ethyl-naphthalen-1-ylamino]propanenitrile
CID 175073701
3-[2-(1-aminoethyl)-N-methylanilino]propanenitrile
CID 43188866
N-(bromomethyl)-N-methylnaphthalen-1-amine
CID 115261813
2-[[methyl(naphthalen-1-yl)amino]methyl]butanenitrile
CID 115253733
3-(N-methyl-2-propanoylanilino)propanenitrile
CID 112677271
methyl 2-[2-cyanoethyl(methyl)amino]benzoate
CID 60694305
3-[(2-amino-3-pyridinyl)-methylamino]propanenitrile
CID 104539719
3-[3-fluoro-2-(1-hydroxyethyl)-N-methylanilino]propanenitrile
CID 43506029
3-[methyl-(3-methylquinolin-2-yl)amino]propanenitrile
CID 63229008

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(naphthalen-1-yl)amino]propanenitrile?
The IUPAC name of 3-[methyl(naphthalen-1-yl)amino]propanenitrile (CID 115230840) is 3-[methyl(naphthalen-1-yl)amino]propanenitrile.
What is the SMILES notation for 3-[methyl(naphthalen-1-yl)amino]propanenitrile?
The canonical SMILES for 3-[methyl(naphthalen-1-yl)amino]propanenitrile is CN(CCC#N)c1cccc2ccccc12.
What is the InChIKey of 3-[methyl(naphthalen-1-yl)amino]propanenitrile?
The InChIKey is WVGJXLIJMCZMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2/c1-16(11-5-10-15)14-9-4-7-12-6-2-3-8-13(12)14/h2-4,6-9H,5,11H2,1H3.
What are the key properties of 3-[methyl(naphthalen-1-yl)amino]propanenitrile?
3-[methyl(naphthalen-1-yl)amino]propanenitrile has a molecular weight of 210.28 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(naphthalen-1-yl)amino]propanenitrile is sourced from PubChem (CID 115230840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).