2-ethyl-2-(methylamino)-5-(2-methylpyrrolidin-1-yl)pentanenitrile

C13H25N3 — CID 106802754

IUPAC2-ethyl-2-(methylamino)-5-(2-methylpyrrolidin-1-yl)pentanenitrile
SMILESCCC(C#N)(CCCN1CCCC1C)NC
InChIInChI=1S/C13H25N3/c1-4-13(11-14,15-3)8-6-10-16-9-5-7-12(16)2/h12,15H,4-10H2,1-3H3
InChIKeyUVUXNWMLZNYIIU-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.14
Rot. Bonds6

About 2-ethyl-2-(methylamino)-5-(2-methylpyrrolidin-1-yl)pentanenitrile

2-ethyl-2-(methylamino)-5-(2-methylpyrrolidin-1-yl)pentanenitrile (PubChem CID 106802754) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 2-ethyl-2-(methylamino)-5-(2-methylpyrrolidin-1-yl)pentanenitrile.

Molecular Properties

Compound Name2-ethyl-2-(methylamino)-5-(2-methylpyrrolidin-1-yl)pentanenitrile
PubChem CID106802754
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name2-ethyl-2-(methylamino)-5-(2-methylpyrrolidin-1-yl)pentanenitrile
SMILESCCC(C#N)(CCCN1CCCC1C)NC
InChIInChI=1S/C13H25N3/c1-4-13(11-14,15-3)8-6-10-16-9-5-7-12(16)2/h12,15H,4-10H2,1-3H3
InChIKeyUVUXNWMLZNYIIU-UHFFFAOYSA-N
XLogP2.14
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-ethyl-2-(methylamino)-5-(2-methylpyrrolidin-1-yl)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

2-ethyl-2-(methylamino)-5-(5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl)pentanenitrile
CID 106804063
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-(4-tert-butylpiperidin-1-yl)-2-ethyl-2-(methylamino)pentanenitrile
CID 106803491
2-ethyl-5-(2-ethylpyrrolidin-1-yl)-2-(propan-2-ylamino)pentanenitrile
CID 106802748
5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(cyclopropylamino)-2-ethylpentanenitrile
CID 106803784
2-ethyl-2-(methylamino)-5-(4-propylpiperazin-1-yl)pentanenitrile
CID 106802818
5-(2,6-dimethylmorpholin-4-yl)-2-ethyl-2-(methylamino)pentanenitrile
CID 106802864
5-(2,4-dimethylpyrrolidin-1-yl)-2-ethyl-2-(propan-2-ylamino)pentanenitrile
CID 106803996
5-(2,5-dioxopyrrolidin-1-yl)-2-ethyl-2-(methylamino)pentanenitrile
CID 106804177
2-(cyclopropylamino)-5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-ethylpentanenitrile
CID 106804019
2-ethyl-5-(3-methoxy-4-methylpiperidin-1-yl)-2-(methylamino)pentanenitrile
CID 106804039

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(methylamino)-5-(2-methylpyrrolidin-1-yl)pentanenitrile?
The IUPAC name of 2-ethyl-2-(methylamino)-5-(2-methylpyrrolidin-1-yl)pentanenitrile (CID 106802754) is 2-ethyl-2-(methylamino)-5-(2-methylpyrrolidin-1-yl)pentanenitrile.
What is the SMILES notation for 2-ethyl-2-(methylamino)-5-(2-methylpyrrolidin-1-yl)pentanenitrile?
The canonical SMILES for 2-ethyl-2-(methylamino)-5-(2-methylpyrrolidin-1-yl)pentanenitrile is CCC(C#N)(CCCN1CCCC1C)NC.
What is the InChIKey of 2-ethyl-2-(methylamino)-5-(2-methylpyrrolidin-1-yl)pentanenitrile?
The InChIKey is UVUXNWMLZNYIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-4-13(11-14,15-3)8-6-10-16-9-5-7-12(16)2/h12,15H,4-10H2,1-3H3.
What are the key properties of 2-ethyl-2-(methylamino)-5-(2-methylpyrrolidin-1-yl)pentanenitrile?
2-ethyl-2-(methylamino)-5-(2-methylpyrrolidin-1-yl)pentanenitrile has a molecular weight of 223.36 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(methylamino)-5-(2-methylpyrrolidin-1-yl)pentanenitrile is sourced from PubChem (CID 106802754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).