2-amino-4-[3-(dimethylamino)pyrrolidin-1-yl]-2-phenylbutanenitrile

C16H24N4 — CID 116692572

IUPAC2-amino-4-[3-(dimethylamino)pyrrolidin-1-yl]-2-phenylbutanenitrile
SMILESCN(C)C1CCN(CCC(N)(C#N)c2ccccc2)C1
InChIInChI=1S/C16H24N4/c1-19(2)15-8-10-20(12-15)11-9-16(18,13-17)14-6-4-3-5-7-14/h3-7,15H,8-12,18H2,1-2H3
InChIKeySBCQZRXFQWLLSY-UHFFFAOYSA-N
MW272.40 g/mol
LogP1.39
Rot. Bonds5

About 2-amino-4-[3-(dimethylamino)pyrrolidin-1-yl]-2-phenylbutanenitrile

2-amino-4-[3-(dimethylamino)pyrrolidin-1-yl]-2-phenylbutanenitrile (PubChem CID 116692572) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is 2-amino-4-[3-(dimethylamino)pyrrolidin-1-yl]-2-phenylbutanenitrile.

Molecular Properties

Compound Name2-amino-4-[3-(dimethylamino)pyrrolidin-1-yl]-2-phenylbutanenitrile
PubChem CID116692572
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name2-amino-4-[3-(dimethylamino)pyrrolidin-1-yl]-2-phenylbutanenitrile
SMILESCN(C)C1CCN(CCC(N)(C#N)c2ccccc2)C1
InChIInChI=1S/C16H24N4/c1-19(2)15-8-10-20(12-15)11-9-16(18,13-17)14-6-4-3-5-7-14/h3-7,15H,8-12,18H2,1-2H3
InChIKeySBCQZRXFQWLLSY-UHFFFAOYSA-N
XLogP1.39
TPSA56.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-phenylbutanenitrile
CID 116692648
2-amino-4-(3,5-dimethylpiperidin-1-yl)-2-phenylbutanenitrile
CID 116692281
2-amino-4-[3-(dimethylamino)pyrrolidin-1-yl]-2-methylbutanenitrile
CID 63165286
2-amino-4-(4-cyclopropylpiperazin-1-yl)-2-phenylbutanenitrile
CID 116692537
2-amino-4-[cyclohexyl(methyl)amino]-2-phenylbutanenitrile
CID 116692337
2-amino-4-(2-ethylpiperidin-1-yl)-2-phenylbutanenitrile
CID 116692385
2-amino-3-(4-tert-butylpiperidin-1-yl)-2-phenylpropanenitrile
CID 62091469
2-amino-4-[1-cyclopropylethyl(methyl)amino]-2-phenylbutanenitrile
CID 116692435
2-amino-4-(2,2-dimethylpyrrolidin-1-yl)-2-phenylbutanenitrile
CID 116692576
4-[3-(dimethylamino)pyrrolidin-1-yl]-2-(ethylamino)-2-methylbutanenitrile
CID 63165334
2-amino-4-[cyclopropyl(2-methoxyethyl)amino]-2-phenylbutanenitrile
CID 116692499
2-amino-4-(2,3-dihydroindol-1-yl)-2-phenylbutanenitrile
CID 116692280

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[3-(dimethylamino)pyrrolidin-1-yl]-2-phenylbutanenitrile?
The IUPAC name of 2-amino-4-[3-(dimethylamino)pyrrolidin-1-yl]-2-phenylbutanenitrile (CID 116692572) is 2-amino-4-[3-(dimethylamino)pyrrolidin-1-yl]-2-phenylbutanenitrile.
What is the SMILES notation for 2-amino-4-[3-(dimethylamino)pyrrolidin-1-yl]-2-phenylbutanenitrile?
The canonical SMILES for 2-amino-4-[3-(dimethylamino)pyrrolidin-1-yl]-2-phenylbutanenitrile is CN(C)C1CCN(CCC(N)(C#N)c2ccccc2)C1.
What is the InChIKey of 2-amino-4-[3-(dimethylamino)pyrrolidin-1-yl]-2-phenylbutanenitrile?
The InChIKey is SBCQZRXFQWLLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-19(2)15-8-10-20(12-15)11-9-16(18,13-17)14-6-4-3-5-7-14/h3-7,15H,8-12,18H2,1-2H3.
What are the key properties of 2-amino-4-[3-(dimethylamino)pyrrolidin-1-yl]-2-phenylbutanenitrile?
2-amino-4-[3-(dimethylamino)pyrrolidin-1-yl]-2-phenylbutanenitrile has a molecular weight of 272.40 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[3-(dimethylamino)pyrrolidin-1-yl]-2-phenylbutanenitrile is sourced from PubChem (CID 116692572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).