2,2-dimethyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanenitrile

C15H19N — CID 116927629

IUPAC2,2-dimethyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanenitrile
SMILESCC(C)(C#N)Cc1ccc2c(c1)CCCC2
InChIInChI=1S/C15H19N/c1-15(2,11-16)10-12-7-8-13-5-3-4-6-14(13)9-12/h7-9H,3-6,10H2,1-2H3
InChIKeyPWIFHLVEHKZGAO-UHFFFAOYSA-N
MW213.32 g/mol
LogP3.66
Rot. Bonds2

About 2,2-dimethyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanenitrile

2,2-dimethyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanenitrile (PubChem CID 116927629) has the molecular formula C15H19N and a molecular weight of 213.32 g/mol. Its IUPAC name is 2,2-dimethyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanenitrile.

Molecular Properties

Compound Name2,2-dimethyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanenitrile
PubChem CID116927629
Molecular FormulaC15H19N
Molecular Weight213.32 g/mol
Exact Mass213.15
IUPAC Name2,2-dimethyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanenitrile
SMILESCC(C)(C#N)Cc1ccc2c(c1)CCCC2
InChIInChI=1S/C15H19N/c1-15(2,11-16)10-12-7-8-13-5-3-4-6-14(13)9-12/h7-9H,3-6,10H2,1-2H3
InChIKeyPWIFHLVEHKZGAO-UHFFFAOYSA-N
XLogP3.66
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-dimethyl-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propanenitrile
CID 115234193
2,2-dimethyl-3-(1-methyl-2,3-dihydroindol-5-yl)propanenitrile
CID 116997085
2-(2,3-dihydro-1H-inden-5-ylmethylamino)-2-methylpropanenitrile
CID 115129260
3,3-dimethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine
CID 116925103
2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)acetonitrile
CID 12562356
3-[1-(2,3-dihydro-1H-inden-5-yl)-2-hydroxypropan-2-yl]benzonitrile
CID 115481286
1-cyclobutyl-3-(2,3-dihydro-1H-inden-5-yl)-2-methylpropan-2-ol
CID 113490172
6-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 19914431
2-(2,3-dihydro-1H-inden-5-ylmethyl)-2,3-dimethylbutan-1-ol
CID 83150043
3-(3,5-dimethylphenyl)-2,2-dimethylpropanenitrile
CID 65379308
1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-propylcyclohexane-1-carbonitrile
CID 65423485
2,2-dimethyl-3-spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-6-ylpropanenitrile
CID 69011290

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanenitrile?
The IUPAC name of 2,2-dimethyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanenitrile (CID 116927629) is 2,2-dimethyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanenitrile.
What is the SMILES notation for 2,2-dimethyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanenitrile?
The canonical SMILES for 2,2-dimethyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanenitrile is CC(C)(C#N)Cc1ccc2c(c1)CCCC2.
What is the InChIKey of 2,2-dimethyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanenitrile?
The InChIKey is PWIFHLVEHKZGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N/c1-15(2,11-16)10-12-7-8-13-5-3-4-6-14(13)9-12/h7-9H,3-6,10H2,1-2H3.
What are the key properties of 2,2-dimethyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanenitrile?
2,2-dimethyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanenitrile has a molecular weight of 213.32 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanenitrile is sourced from PubChem (CID 116927629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).