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

C17H24N2 — CID 115234193

IUPAC2,2-dimethyl-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propanenitrile
SMILESCC(C)(C#N)CNCCc1ccc2c(c1)CCCC2
InChIInChI=1S/C17H24N2/c1-17(2,12-18)13-19-10-9-14-7-8-15-5-3-4-6-16(15)11-14/h7-8,11,19H,3-6,9-10,13H2,1-2H3
InChIKeyHALCTOFAUHURAP-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.25
Rot. Bonds5

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

2,2-dimethyl-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propanenitrile (PubChem CID 115234193) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2,2-dimethyl-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propanenitrile.

Molecular Properties

Compound Name2,2-dimethyl-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propanenitrile
PubChem CID115234193
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name2,2-dimethyl-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propanenitrile
SMILESCC(C)(C#N)CNCCc1ccc2c(c1)CCCC2
InChIInChI=1S/C17H24N2/c1-17(2,12-18)13-19-10-9-14-7-8-15-5-3-4-6-16(15)11-14/h7-8,11,19H,3-6,9-10,13H2,1-2H3
InChIKeyHALCTOFAUHURAP-UHFFFAOYSA-N
XLogP3.25
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanenitrile
CID 116927629
3-[2-(4-methoxy-3-methylphenyl)ethylamino]-2,2-dimethylpropanenitrile
CID 115234199
3-[2-(3-methoxyphenyl)ethylamino]-2,2-dimethylpropanenitrile
CID 115234271
3-[2-(4-ethoxy-3-fluorophenyl)ethylamino]-2,2-dimethylpropanenitrile
CID 115234230
N'-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-N-ethylethane-1,2-diamine
CID 115205974
2-(2,3-dihydro-1H-inden-5-ylmethylamino)-2-methylpropanenitrile
CID 115129260
6-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 19914431
3-[(4-ethylphenyl)methylamino]-2,2-dimethylpropanenitrile
CID 104587185
3-[[2-(2,3-dihydro-1H-inden-5-yl)-2-methylpropyl]amino]propanenitrile
CID 115231328
2-[2-(3,4-dihydro-2H-thiochromen-6-yl)ethylamino]acetonitrile
CID 115131281
2-[[2-(2,3-dihydro-1H-inden-5-yl)-2-methylpropyl]amino]acetonitrile
CID 115131481
2,2-dimethyl-3-[2-(2,3,4-trimethylphenyl)ethylamino]propanenitrile
CID 115234277

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propanenitrile?
The IUPAC name of 2,2-dimethyl-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propanenitrile (CID 115234193) is 2,2-dimethyl-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propanenitrile.
What is the SMILES notation for 2,2-dimethyl-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propanenitrile?
The canonical SMILES for 2,2-dimethyl-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propanenitrile is CC(C)(C#N)CNCCc1ccc2c(c1)CCCC2.
What is the InChIKey of 2,2-dimethyl-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propanenitrile?
The InChIKey is HALCTOFAUHURAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-17(2,12-18)13-19-10-9-14-7-8-15-5-3-4-6-16(15)11-14/h7-8,11,19H,3-6,9-10,13H2,1-2H3.
What are the key properties of 2,2-dimethyl-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propanenitrile?
2,2-dimethyl-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propanenitrile has a molecular weight of 256.39 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propanenitrile is sourced from PubChem (CID 115234193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).