2,2-dimethyl-3-(naphthalen-1-ylamino)propanenitrile

C15H16N2 — CID 115233857

IUPAC2,2-dimethyl-3-(naphthalen-1-ylamino)propanenitrile
SMILESCC(C)(C#N)CNc1cccc2ccccc12
InChIInChI=1S/C15H16N2/c1-15(2,10-16)11-17-14-9-5-7-12-6-3-4-8-13(12)14/h3-9,17H,11H2,1-2H3
InChIKeyHIONBKNIAUUNAZ-UHFFFAOYSA-N
MW224.31 g/mol
LogP3.80
Rot. Bonds3

About 2,2-dimethyl-3-(naphthalen-1-ylamino)propanenitrile

2,2-dimethyl-3-(naphthalen-1-ylamino)propanenitrile (PubChem CID 115233857) has the molecular formula C15H16N2 and a molecular weight of 224.31 g/mol. Its IUPAC name is 2,2-dimethyl-3-(naphthalen-1-ylamino)propanenitrile.

Molecular Properties

Compound Name2,2-dimethyl-3-(naphthalen-1-ylamino)propanenitrile
PubChem CID115233857
Molecular FormulaC15H16N2
Molecular Weight224.31 g/mol
Exact Mass224.13
IUPAC Name2,2-dimethyl-3-(naphthalen-1-ylamino)propanenitrile
SMILESCC(C)(C#N)CNc1cccc2ccccc12
InChIInChI=1S/C15H16N2/c1-15(2,10-16)11-17-14-9-5-7-12-6-3-4-8-13(12)14/h3-9,17H,11H2,1-2H3
InChIKeyHIONBKNIAUUNAZ-UHFFFAOYSA-N
XLogP3.80
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-(naphthalen-1-ylamino)propan-2-ol
CID 60884850
2,2-dimethyl-3-(naphthalen-1-ylamino)propanoic acid
CID 79629217
2-methyl-3-(naphthalen-1-ylamino)propanenitrile
CID 43245410
N,N'-dinaphthalen-1-ylethane-1,2-diamine;dihydrochloride
CID 69046784
3-(isoquinolin-4-ylmethylamino)-2,2-dimethylpropanenitrile
CID 104587163
2-(naphthalen-1-ylamino)propanenitrile
CID 57213700
N-(3-phenylprop-2-ynyl)naphthalen-1-amine
CID 62340347
2-[1-[(naphthalen-1-ylamino)methyl]cyclopropyl]acetonitrile
CID 65479545
2-hydroxy-2-naphthalen-1-ylpropanenitrile
CID 102137680
2,2-dimethyl-6-(naphthalen-1-ylmethylamino)hexanenitrile
CID 106709273
6-(naphthalen-1-ylamino)pyridine-2-carbonitrile
CID 64590026
2,2-dimethyl-3-(thiophen-2-ylamino)propanenitrile
CID 115233744

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(naphthalen-1-ylamino)propanenitrile?
The IUPAC name of 2,2-dimethyl-3-(naphthalen-1-ylamino)propanenitrile (CID 115233857) is 2,2-dimethyl-3-(naphthalen-1-ylamino)propanenitrile.
What is the SMILES notation for 2,2-dimethyl-3-(naphthalen-1-ylamino)propanenitrile?
The canonical SMILES for 2,2-dimethyl-3-(naphthalen-1-ylamino)propanenitrile is CC(C)(C#N)CNc1cccc2ccccc12.
What is the InChIKey of 2,2-dimethyl-3-(naphthalen-1-ylamino)propanenitrile?
The InChIKey is HIONBKNIAUUNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2/c1-15(2,10-16)11-17-14-9-5-7-12-6-3-4-8-13(12)14/h3-9,17H,11H2,1-2H3.
What are the key properties of 2,2-dimethyl-3-(naphthalen-1-ylamino)propanenitrile?
2,2-dimethyl-3-(naphthalen-1-ylamino)propanenitrile has a molecular weight of 224.31 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(naphthalen-1-ylamino)propanenitrile is sourced from PubChem (CID 115233857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).