3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]pentanenitrile

C12H23N3 — CID 81463856

IUPAC3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]pentanenitrile
SMILESCCC(CC#N)N1CC(C)C(N(C)C)C1
InChIInChI=1S/C12H23N3/c1-5-11(6-7-13)15-8-10(2)12(9-15)14(3)4/h10-12H,5-6,8-9H2,1-4H3
InChIKeyUMAHVVDEMVKLEN-UHFFFAOYSA-N
MW209.34 g/mol
LogP1.56
Rot. Bonds4

About 3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]pentanenitrile

3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]pentanenitrile (PubChem CID 81463856) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]pentanenitrile.

Molecular Properties

Compound Name3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]pentanenitrile
PubChem CID81463856
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]pentanenitrile
SMILESCCC(CC#N)N1CC(C)C(N(C)C)C1
InChIInChI=1S/C12H23N3/c1-5-11(6-7-13)15-8-10(2)12(9-15)14(3)4/h10-12H,5-6,8-9H2,1-4H3
InChIKeyUMAHVVDEMVKLEN-UHFFFAOYSA-N
XLogP1.56
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[3-(dimethylamino)-4-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

Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]pentanenitrile?
The IUPAC name of 3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]pentanenitrile (CID 81463856) is 3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]pentanenitrile.
What is the SMILES notation for 3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]pentanenitrile?
The canonical SMILES for 3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]pentanenitrile is CCC(CC#N)N1CC(C)C(N(C)C)C1.
What is the InChIKey of 3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]pentanenitrile?
The InChIKey is UMAHVVDEMVKLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-5-11(6-7-13)15-8-10(2)12(9-15)14(3)4/h10-12H,5-6,8-9H2,1-4H3.
What are the key properties of 3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]pentanenitrile?
3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]pentanenitrile has a molecular weight of 209.34 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]pentanenitrile is sourced from PubChem (CID 81463856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).