2,2-dimethyl-5-[3-(methylamino)pyrrolidin-1-yl]pentanenitrile

C12H23N3 — CID 115300536

IUPAC2,2-dimethyl-5-[3-(methylamino)pyrrolidin-1-yl]pentanenitrile
SMILESCNC1CCN(CCCC(C)(C)C#N)C1
InChIInChI=1S/C12H23N3/c1-12(2,10-13)6-4-7-15-8-5-11(9-15)14-3/h11,14H,4-9H2,1-3H3
InChIKeyAWTFKUGXZJCNFA-UHFFFAOYSA-N
MW209.34 g/mol
LogP1.61
Rot. Bonds5

About 2,2-dimethyl-5-[3-(methylamino)pyrrolidin-1-yl]pentanenitrile

2,2-dimethyl-5-[3-(methylamino)pyrrolidin-1-yl]pentanenitrile (PubChem CID 115300536) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 2,2-dimethyl-5-[3-(methylamino)pyrrolidin-1-yl]pentanenitrile.

Molecular Properties

Compound Name2,2-dimethyl-5-[3-(methylamino)pyrrolidin-1-yl]pentanenitrile
PubChem CID115300536
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name2,2-dimethyl-5-[3-(methylamino)pyrrolidin-1-yl]pentanenitrile
SMILESCNC1CCN(CCCC(C)(C)C#N)C1
InChIInChI=1S/C12H23N3/c1-12(2,10-13)6-4-7-15-8-5-11(9-15)14-3/h11,14H,4-9H2,1-3H3
InChIKeyAWTFKUGXZJCNFA-UHFFFAOYSA-N
XLogP1.61
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-4-[3-(methylamino)piperidin-1-yl]butanenitrile
CID 65250985
5-[(3S)-3-aminopyrrolidin-1-yl]-2,2-dimethylpentanenitrile
CID 115302336
5-(3-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethylpentanenitrile
CID 103897919
1-(4-cyano-4-methylpentyl)pyrrolidine-3-carboxylic acid
CID 65255418
2,2-dimethyl-6-[4-[2-(methylamino)ethyl]piperidin-1-yl]hexanenitrile
CID 106713395
5-(3-ethyl-4-methylpiperazin-1-yl)-2,2-dimethylpentanenitrile
CID 65257902
5-(4-tert-butylazepan-1-yl)-2,2-dimethylpentanenitrile
CID 65257423
2,2-dimethyl-5-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]pentanenitrile
CID 65255387
methyl 1-(4-cyano-4-methylpentyl)piperidine-3-carboxylate
CID 79421855
1-(5-cyano-5-methylhexyl)-N-methylpiperidine-3-carboxamide
CID 106710159
5-(4-ethylazepan-1-yl)-2,2-dimethylpentanenitrile
CID 65257368
2,2-dimethyl-5-[3-(propylaminomethyl)piperidin-1-yl]pentanenitrile
CID 65254674

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-[3-(methylamino)pyrrolidin-1-yl]pentanenitrile?
The IUPAC name of 2,2-dimethyl-5-[3-(methylamino)pyrrolidin-1-yl]pentanenitrile (CID 115300536) is 2,2-dimethyl-5-[3-(methylamino)pyrrolidin-1-yl]pentanenitrile.
What is the SMILES notation for 2,2-dimethyl-5-[3-(methylamino)pyrrolidin-1-yl]pentanenitrile?
The canonical SMILES for 2,2-dimethyl-5-[3-(methylamino)pyrrolidin-1-yl]pentanenitrile is CNC1CCN(CCCC(C)(C)C#N)C1.
What is the InChIKey of 2,2-dimethyl-5-[3-(methylamino)pyrrolidin-1-yl]pentanenitrile?
The InChIKey is AWTFKUGXZJCNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-12(2,10-13)6-4-7-15-8-5-11(9-15)14-3/h11,14H,4-9H2,1-3H3.
What are the key properties of 2,2-dimethyl-5-[3-(methylamino)pyrrolidin-1-yl]pentanenitrile?
2,2-dimethyl-5-[3-(methylamino)pyrrolidin-1-yl]pentanenitrile has a molecular weight of 209.34 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-[3-(methylamino)pyrrolidin-1-yl]pentanenitrile is sourced from PubChem (CID 115300536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).