5-[(3S)-3-aminopyrrolidin-1-yl]-2,2-dimethylpentanenitrile

C11H21N3 — CID 115302336

IUPAC5-[(3S)-3-aminopyrrolidin-1-yl]-2,2-dimethylpentanenitrile
SMILESCC(C)(C#N)CCCN1CC[C@H](N)C1
InChIInChI=1S/C11H21N3/c1-11(2,9-12)5-3-6-14-7-4-10(13)8-14/h10H,3-8,13H2,1-2H3/t10-/m0/s1
InChIKeyYXTRFXPKAXKPEM-JTQLQIEISA-N
MW195.31 g/mol
LogP1.35
Rot. Bonds4

About 5-[(3S)-3-aminopyrrolidin-1-yl]-2,2-dimethylpentanenitrile

5-[(3S)-3-aminopyrrolidin-1-yl]-2,2-dimethylpentanenitrile (PubChem CID 115302336) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 5-[(3S)-3-aminopyrrolidin-1-yl]-2,2-dimethylpentanenitrile.

Molecular Properties

Compound Name5-[(3S)-3-aminopyrrolidin-1-yl]-2,2-dimethylpentanenitrile
PubChem CID115302336
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name5-[(3S)-3-aminopyrrolidin-1-yl]-2,2-dimethylpentanenitrile
SMILESCC(C)(C#N)CCCN1CC[C@H](N)C1
InChIInChI=1S/C11H21N3/c1-11(2,9-12)5-3-6-14-7-4-10(13)8-14/h10H,3-8,13H2,1-2H3/t10-/m0/s1
InChIKeyYXTRFXPKAXKPEM-JTQLQIEISA-N
XLogP1.35
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-5-[3-(methylamino)pyrrolidin-1-yl]pentanenitrile
CID 115300536
5-(3-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethylpentanenitrile
CID 103897919
1-(4-cyano-4-methylpentyl)pyrrolidine-3-carboxylic acid
CID 65255418
4-[(3S)-3-aminopyrrolidin-1-yl]butanenitrile
CID 94340658
5-(4-ethylazepan-1-yl)-2,2-dimethylpentanenitrile
CID 65257368
5-(4-tert-butylazepan-1-yl)-2,2-dimethylpentanenitrile
CID 65257423
5-(3-ethyl-4-methylpiperazin-1-yl)-2,2-dimethylpentanenitrile
CID 65257902
2-[1-(4-cyano-4-methylpentyl)piperidin-3-yl]acetic acid
CID 65256104
2,2-dimethyl-5-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]pentanenitrile
CID 65255387
4-[4-(aminomethyl)piperidin-1-yl]-2,2-dimethylbutanenitrile
CID 65250779
2,2-dimethyl-5-[3-(propylaminomethyl)piperidin-1-yl]pentanenitrile
CID 65254674
(2R)-2-[1-(4-cyano-4-methylpentyl)piperidin-4-yl]-2-hydroxyacetamide
CID 129490237

Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-3-aminopyrrolidin-1-yl]-2,2-dimethylpentanenitrile?
The IUPAC name of 5-[(3S)-3-aminopyrrolidin-1-yl]-2,2-dimethylpentanenitrile (CID 115302336) is 5-[(3S)-3-aminopyrrolidin-1-yl]-2,2-dimethylpentanenitrile.
What is the SMILES notation for 5-[(3S)-3-aminopyrrolidin-1-yl]-2,2-dimethylpentanenitrile?
The canonical SMILES for 5-[(3S)-3-aminopyrrolidin-1-yl]-2,2-dimethylpentanenitrile is CC(C)(C#N)CCCN1CC[C@H](N)C1.
What is the InChIKey of 5-[(3S)-3-aminopyrrolidin-1-yl]-2,2-dimethylpentanenitrile?
The InChIKey is YXTRFXPKAXKPEM-JTQLQIEISA-N. The full InChI is InChI=1S/C11H21N3/c1-11(2,9-12)5-3-6-14-7-4-10(13)8-14/h10H,3-8,13H2,1-2H3/t10-/m0/s1.
What are the key properties of 5-[(3S)-3-aminopyrrolidin-1-yl]-2,2-dimethylpentanenitrile?
5-[(3S)-3-aminopyrrolidin-1-yl]-2,2-dimethylpentanenitrile has a molecular weight of 195.31 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S)-3-aminopyrrolidin-1-yl]-2,2-dimethylpentanenitrile is sourced from PubChem (CID 115302336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).