5-(2,4-dimethylpyrrolidin-1-yl)-2-ethyl-2-(ethylamino)pentanenitrile

C15H29N3 — CID 106803999

IUPAC5-(2,4-dimethylpyrrolidin-1-yl)-2-ethyl-2-(ethylamino)pentanenitrile
SMILESCCNC(C#N)(CC)CCCN1CC(C)CC1C
InChIInChI=1S/C15H29N3/c1-5-15(12-16,17-6-2)8-7-9-18-11-13(3)10-14(18)4/h13-14,17H,5-11H2,1-4H3
InChIKeyJIASTQBRDZNKIW-UHFFFAOYSA-N
MW251.42 g/mol
LogP2.78
Rot. Bonds7

About 5-(2,4-dimethylpyrrolidin-1-yl)-2-ethyl-2-(ethylamino)pentanenitrile

5-(2,4-dimethylpyrrolidin-1-yl)-2-ethyl-2-(ethylamino)pentanenitrile (PubChem CID 106803999) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 5-(2,4-dimethylpyrrolidin-1-yl)-2-ethyl-2-(ethylamino)pentanenitrile.

Molecular Properties

Compound Name5-(2,4-dimethylpyrrolidin-1-yl)-2-ethyl-2-(ethylamino)pentanenitrile
PubChem CID106803999
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name5-(2,4-dimethylpyrrolidin-1-yl)-2-ethyl-2-(ethylamino)pentanenitrile
SMILESCCNC(C#N)(CC)CCCN1CC(C)CC1C
InChIInChI=1S/C15H29N3/c1-5-15(12-16,17-6-2)8-7-9-18-11-13(3)10-14(18)4/h13-14,17H,5-11H2,1-4H3
InChIKeyJIASTQBRDZNKIW-UHFFFAOYSA-N
XLogP2.78
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(2,4-dimethylpyrrolidin-1-yl)-2-ethyl-2-(ethylamino)pentanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2,4-dimethylpyrrolidin-1-yl)-2-ethyl-2-(propan-2-ylamino)pentanenitrile
CID 106803996
5-(2,6-dimethylmorpholin-4-yl)-2-ethyl-2-(ethylamino)pentanenitrile
CID 106802865
5-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-ethyl-2-(ethylamino)pentanenitrile
CID 106804026
5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-ethyl-2-(ethylamino)pentanenitrile
CID 106803115
5-(2,4-dimethylpiperidin-1-yl)-2-(ethylamino)-2-methylpentanenitrile
CID 62331839
2-ethyl-2-(ethylamino)-5-(2-propylpiperidin-1-yl)pentanenitrile
CID 106803943
5-(3,5-dimethylcyclohexyl)oxy-2-ethyl-2-(ethylamino)pentanenitrile
CID 106804829
2-ethyl-2-(methylamino)-5-(2-methylpyrrolidin-1-yl)pentanenitrile
CID 106802754
2-ethyl-2-(ethylamino)-5-(4-methylsulfonylpiperazin-1-yl)pentanenitrile
CID 106803569
5-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-2-ethyl-2-(ethylamino)pentanenitrile
CID 106803583
2-ethyl-2-(ethylamino)-5-(4-methyl-1,4-diazepan-1-yl)pentanenitrile
CID 106802936
2-ethyl-2-(ethylamino)-5-[3-(methoxymethyl)piperidin-1-yl]pentanenitrile
CID 106804088

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethylpyrrolidin-1-yl)-2-ethyl-2-(ethylamino)pentanenitrile?
The IUPAC name of 5-(2,4-dimethylpyrrolidin-1-yl)-2-ethyl-2-(ethylamino)pentanenitrile (CID 106803999) is 5-(2,4-dimethylpyrrolidin-1-yl)-2-ethyl-2-(ethylamino)pentanenitrile.
What is the SMILES notation for 5-(2,4-dimethylpyrrolidin-1-yl)-2-ethyl-2-(ethylamino)pentanenitrile?
The canonical SMILES for 5-(2,4-dimethylpyrrolidin-1-yl)-2-ethyl-2-(ethylamino)pentanenitrile is CCNC(C#N)(CC)CCCN1CC(C)CC1C.
What is the InChIKey of 5-(2,4-dimethylpyrrolidin-1-yl)-2-ethyl-2-(ethylamino)pentanenitrile?
The InChIKey is JIASTQBRDZNKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-5-15(12-16,17-6-2)8-7-9-18-11-13(3)10-14(18)4/h13-14,17H,5-11H2,1-4H3.
What are the key properties of 5-(2,4-dimethylpyrrolidin-1-yl)-2-ethyl-2-(ethylamino)pentanenitrile?
5-(2,4-dimethylpyrrolidin-1-yl)-2-ethyl-2-(ethylamino)pentanenitrile has a molecular weight of 251.42 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethylpyrrolidin-1-yl)-2-ethyl-2-(ethylamino)pentanenitrile is sourced from PubChem (CID 106803999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).