3-(2,2-dimethylpyrrolidin-1-yl)-3-phenylpropanenitrile

C15H20N2 — CID 63219905

IUPAC3-(2,2-dimethylpyrrolidin-1-yl)-3-phenylpropanenitrile
SMILESCC1(C)CCCN1C(CC#N)c1ccccc1
InChIInChI=1S/C15H20N2/c1-15(2)10-6-12-17(15)14(9-11-16)13-7-4-3-5-8-13/h3-5,7-8,14H,6,9-10,12H2,1-2H3
InChIKeyNEOCEXQRMGDYFG-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.52
Rot. Bonds3

About 3-(2,2-dimethylpyrrolidin-1-yl)-3-phenylpropanenitrile

3-(2,2-dimethylpyrrolidin-1-yl)-3-phenylpropanenitrile (PubChem CID 63219905) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-(2,2-dimethylpyrrolidin-1-yl)-3-phenylpropanenitrile.

Molecular Properties

Compound Name3-(2,2-dimethylpyrrolidin-1-yl)-3-phenylpropanenitrile
PubChem CID63219905
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name3-(2,2-dimethylpyrrolidin-1-yl)-3-phenylpropanenitrile
SMILESCC1(C)CCCN1C(CC#N)c1ccccc1
InChIInChI=1S/C15H20N2/c1-15(2)10-6-12-17(15)14(9-11-16)13-7-4-3-5-8-13/h3-5,7-8,14H,6,9-10,12H2,1-2H3
InChIKeyNEOCEXQRMGDYFG-UHFFFAOYSA-N
XLogP3.52
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,2-dimethylpyrrolidin-1-yl)-N-methyl-2-phenylethanamine
CID 63218346
3-(7,7-dimethyl-1,4-thiazepan-4-yl)-3-phenylpropanenitrile
CID 107455022
2-methyl-1-(1-phenylethyl)pyrrolidine-2-carbonitrile
CID 78011341
2-(2,2-dimethylpyrrolidin-1-yl)-3-phenylbutan-1-amine
CID 63215713
3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-phenylpropanenitrile
CID 105414729
3-[(1-methylcyclopentyl)amino]-3-phenylpropanenitrile
CID 62780214
3-[2-(1-aminoethyl)piperidin-1-yl]-3-phenylpropanenitrile
CID 63256046
3-(3-methylpiperazin-1-yl)-3-phenylpropanenitrile
CID 65449769
3-[(3S)-3-methylpiperazin-1-yl]-3-phenylpropanenitrile
CID 104976929
2-(3-bromophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine
CID 63215857
2-(3-chlorophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine
CID 63216309
3-(2,6-dimethylmorpholin-4-yl)-3-phenylpropanenitrile
CID 62780582

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpyrrolidin-1-yl)-3-phenylpropanenitrile?
The IUPAC name of 3-(2,2-dimethylpyrrolidin-1-yl)-3-phenylpropanenitrile (CID 63219905) is 3-(2,2-dimethylpyrrolidin-1-yl)-3-phenylpropanenitrile.
What is the SMILES notation for 3-(2,2-dimethylpyrrolidin-1-yl)-3-phenylpropanenitrile?
The canonical SMILES for 3-(2,2-dimethylpyrrolidin-1-yl)-3-phenylpropanenitrile is CC1(C)CCCN1C(CC#N)c1ccccc1.
What is the InChIKey of 3-(2,2-dimethylpyrrolidin-1-yl)-3-phenylpropanenitrile?
The InChIKey is NEOCEXQRMGDYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-15(2)10-6-12-17(15)14(9-11-16)13-7-4-3-5-8-13/h3-5,7-8,14H,6,9-10,12H2,1-2H3.
What are the key properties of 3-(2,2-dimethylpyrrolidin-1-yl)-3-phenylpropanenitrile?
3-(2,2-dimethylpyrrolidin-1-yl)-3-phenylpropanenitrile has a molecular weight of 228.34 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpyrrolidin-1-yl)-3-phenylpropanenitrile is sourced from PubChem (CID 63219905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).