2-(4-tert-butylphenyl)-2-[2-(dimethylamino)ethyl]-3-methylbutanenitrile

C19H30N2 — CID 26908

IUPAC2-(4-tert-butylphenyl)-2-[2-(dimethylamino)ethyl]-3-methylbutanenitrile
SMILESCC(C)C(C#N)(CCN(C)C)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H30N2/c1-15(2)19(14-20,12-13-21(6)7)17-10-8-16(9-11-17)18(3,4)5/h8-11,15H,12-13H2,1-7H3
InChIKeyJPHFYCRSFWQNLY-UHFFFAOYSA-N
MW286.46 g/mol
LogP4.35
Rot. Bonds5

About 2-(4-tert-butylphenyl)-2-[2-(dimethylamino)ethyl]-3-methylbutanenitrile

2-(4-tert-butylphenyl)-2-[2-(dimethylamino)ethyl]-3-methylbutanenitrile (PubChem CID 26908) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-2-[2-(dimethylamino)ethyl]-3-methylbutanenitrile.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-2-[2-(dimethylamino)ethyl]-3-methylbutanenitrile
PubChem CID26908
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name2-(4-tert-butylphenyl)-2-[2-(dimethylamino)ethyl]-3-methylbutanenitrile
SMILESCC(C)C(C#N)(CCN(C)C)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H30N2/c1-15(2)19(14-20,12-13-21(6)7)17-10-8-16(9-11-17)18(3,4)5/h8-11,15H,12-13H2,1-7H3
InChIKeyJPHFYCRSFWQNLY-UHFFFAOYSA-N
XLogP4.35
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-tert-butylphenyl)-5-[2-cyclohexylethyl(methyl)amino]-2-propan-2-ylpentanenitrile
CID 23043137
(2R,3R)-2-[2-(dimethylamino)ethyl]-3-methyl-2-naphthalen-2-ylpentanenitrile
CID 125486667
5-[benzyl(methyl)amino]-2-(4-bromophenyl)-2-propan-2-ylpentanenitrile
CID 21181634
5-amino-2-phenyl-2-propan-2-ylpentanenitrile
CID 22443873
2-(4-tert-butylphenyl)-2,3-dimethylbutanenitrile
CID 117048002
(2R)-5-bromo-2-phenyl-2-propan-2-ylpentanenitrile
CID 129363501
4-cyano-4-(4-fluorophenyl)-5-methylhexanoic acid
CID 18759266
(3-cyano-4-methyl-3-phenylpentyl)boronic acid
CID 154145490
2-(3,4-dimethoxyphenyl)-2-propan-2-ylpentanenitrile;2-(4-ethoxy-3-methoxyphenyl)-N,N-dimethylethanamine
CID 170701382
2-[2-(dimethylamino)ethyl]-4-[di(propan-2-yl)amino]-2-(4-fluorophenyl)butanenitrile
CID 12612268
5-[bis(1-phenylethyl)amino]-2-(4-bromophenyl)-2-propan-2-ylhexanenitrile
CID 70242256
(2R,5R)-5,6-dihydroxy-2-phenyl-2-propan-2-ylhexanenitrile
CID 10800518

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-2-[2-(dimethylamino)ethyl]-3-methylbutanenitrile?
The IUPAC name of 2-(4-tert-butylphenyl)-2-[2-(dimethylamino)ethyl]-3-methylbutanenitrile (CID 26908) is 2-(4-tert-butylphenyl)-2-[2-(dimethylamino)ethyl]-3-methylbutanenitrile.
What is the SMILES notation for 2-(4-tert-butylphenyl)-2-[2-(dimethylamino)ethyl]-3-methylbutanenitrile?
The canonical SMILES for 2-(4-tert-butylphenyl)-2-[2-(dimethylamino)ethyl]-3-methylbutanenitrile is CC(C)C(C#N)(CCN(C)C)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-2-[2-(dimethylamino)ethyl]-3-methylbutanenitrile?
The InChIKey is JPHFYCRSFWQNLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-15(2)19(14-20,12-13-21(6)7)17-10-8-16(9-11-17)18(3,4)5/h8-11,15H,12-13H2,1-7H3.
What are the key properties of 2-(4-tert-butylphenyl)-2-[2-(dimethylamino)ethyl]-3-methylbutanenitrile?
2-(4-tert-butylphenyl)-2-[2-(dimethylamino)ethyl]-3-methylbutanenitrile has a molecular weight of 286.46 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-2-[2-(dimethylamino)ethyl]-3-methylbutanenitrile is sourced from PubChem (CID 26908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).