2-amino-4-(2,2-dimethylpyrrolidin-1-yl)-2-phenylbutanenitrile

C16H23N3 — CID 116692576

IUPAC2-amino-4-(2,2-dimethylpyrrolidin-1-yl)-2-phenylbutanenitrile
SMILESCC1(C)CCCN1CCC(N)(C#N)c1ccccc1
InChIInChI=1S/C16H23N3/c1-15(2)9-6-11-19(15)12-10-16(18,13-17)14-7-4-3-5-8-14/h3-5,7-8H,6,9-12,18H2,1-2H3
InChIKeyOUYHPGYAKRDQJW-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.63
Rot. Bonds4

About 2-amino-4-(2,2-dimethylpyrrolidin-1-yl)-2-phenylbutanenitrile

2-amino-4-(2,2-dimethylpyrrolidin-1-yl)-2-phenylbutanenitrile (PubChem CID 116692576) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-amino-4-(2,2-dimethylpyrrolidin-1-yl)-2-phenylbutanenitrile.

Molecular Properties

Compound Name2-amino-4-(2,2-dimethylpyrrolidin-1-yl)-2-phenylbutanenitrile
PubChem CID116692576
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name2-amino-4-(2,2-dimethylpyrrolidin-1-yl)-2-phenylbutanenitrile
SMILESCC1(C)CCCN1CCC(N)(C#N)c1ccccc1
InChIInChI=1S/C16H23N3/c1-15(2)9-6-11-19(15)12-10-16(18,13-17)14-7-4-3-5-8-14/h3-5,7-8H,6,9-12,18H2,1-2H3
InChIKeyOUYHPGYAKRDQJW-UHFFFAOYSA-N
XLogP2.63
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-(2,2-dimethylpyrrolidin-1-yl)-2-phenylbutanamide
CID 116693857
2-amino-4-(2-ethylpiperidin-1-yl)-2-phenylbutanenitrile
CID 116692385
2-amino-4-(3,5-dimethylpiperidin-1-yl)-2-phenylbutanenitrile
CID 116692281
2-amino-4-(4-cyclopropylpiperazin-1-yl)-2-phenylbutanenitrile
CID 116692537
2-amino-4-(2,3-dihydroindol-1-yl)-2-phenylbutanenitrile
CID 116692280
2-amino-4-[3-(dimethylamino)pyrrolidin-1-yl]-2-phenylbutanenitrile
CID 116692572
2-amino-4-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-phenylbutanenitrile
CID 116692734
1-benzyl-2,2-dimethylpyrrolidine
CID 10954329
2-amino-4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-phenylbutanenitrile
CID 116692648
2-amino-4-[cyclohexyl(methyl)amino]-2-phenylbutanenitrile
CID 116692337
4-(4-hydroxy-4-methylpiperidin-1-yl)-2,2-diphenylbutanenitrile
CID 154841334
2-amino-4-(2,2-dimethylpyrrolidin-1-yl)-2-methylbutanamide
CID 63217657

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2,2-dimethylpyrrolidin-1-yl)-2-phenylbutanenitrile?
The IUPAC name of 2-amino-4-(2,2-dimethylpyrrolidin-1-yl)-2-phenylbutanenitrile (CID 116692576) is 2-amino-4-(2,2-dimethylpyrrolidin-1-yl)-2-phenylbutanenitrile.
What is the SMILES notation for 2-amino-4-(2,2-dimethylpyrrolidin-1-yl)-2-phenylbutanenitrile?
The canonical SMILES for 2-amino-4-(2,2-dimethylpyrrolidin-1-yl)-2-phenylbutanenitrile is CC1(C)CCCN1CCC(N)(C#N)c1ccccc1.
What is the InChIKey of 2-amino-4-(2,2-dimethylpyrrolidin-1-yl)-2-phenylbutanenitrile?
The InChIKey is OUYHPGYAKRDQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-15(2)9-6-11-19(15)12-10-16(18,13-17)14-7-4-3-5-8-14/h3-5,7-8H,6,9-12,18H2,1-2H3.
What are the key properties of 2-amino-4-(2,2-dimethylpyrrolidin-1-yl)-2-phenylbutanenitrile?
2-amino-4-(2,2-dimethylpyrrolidin-1-yl)-2-phenylbutanenitrile has a molecular weight of 257.38 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2,2-dimethylpyrrolidin-1-yl)-2-phenylbutanenitrile is sourced from PubChem (CID 116692576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).