2-cyclopropyl-3-(3,4-dimethylpyrrolidin-1-yl)-2-(methylamino)propanenitrile

C13H23N3 — CID 79184284

IUPAC2-cyclopropyl-3-(3,4-dimethylpyrrolidin-1-yl)-2-(methylamino)propanenitrile
SMILESCNC(C#N)(CN1CC(C)C(C)C1)C1CC1
InChIInChI=1S/C13H23N3/c1-10-6-16(7-11(10)2)9-13(8-14,15-3)12-4-5-12/h10-12,15H,4-7,9H2,1-3H3
InChIKeyKVGPBHJSRKEPAU-UHFFFAOYSA-N
MW221.35 g/mol
LogP1.47
Rot. Bonds4

About 2-cyclopropyl-3-(3,4-dimethylpyrrolidin-1-yl)-2-(methylamino)propanenitrile

2-cyclopropyl-3-(3,4-dimethylpyrrolidin-1-yl)-2-(methylamino)propanenitrile (PubChem CID 79184284) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 2-cyclopropyl-3-(3,4-dimethylpyrrolidin-1-yl)-2-(methylamino)propanenitrile.

Molecular Properties

Compound Name2-cyclopropyl-3-(3,4-dimethylpyrrolidin-1-yl)-2-(methylamino)propanenitrile
PubChem CID79184284
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name2-cyclopropyl-3-(3,4-dimethylpyrrolidin-1-yl)-2-(methylamino)propanenitrile
SMILESCNC(C#N)(CN1CC(C)C(C)C1)C1CC1
InChIInChI=1S/C13H23N3/c1-10-6-16(7-11(10)2)9-13(8-14,15-3)12-4-5-12/h10-12,15H,4-7,9H2,1-3H3
InChIKeyKVGPBHJSRKEPAU-UHFFFAOYSA-N
XLogP1.47
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(3,4-dimethylpyrrolidin-1-yl)-2-(methylamino)propanenitrile?
The IUPAC name of 2-cyclopropyl-3-(3,4-dimethylpyrrolidin-1-yl)-2-(methylamino)propanenitrile (CID 79184284) is 2-cyclopropyl-3-(3,4-dimethylpyrrolidin-1-yl)-2-(methylamino)propanenitrile.
What is the SMILES notation for 2-cyclopropyl-3-(3,4-dimethylpyrrolidin-1-yl)-2-(methylamino)propanenitrile?
The canonical SMILES for 2-cyclopropyl-3-(3,4-dimethylpyrrolidin-1-yl)-2-(methylamino)propanenitrile is CNC(C#N)(CN1CC(C)C(C)C1)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(3,4-dimethylpyrrolidin-1-yl)-2-(methylamino)propanenitrile?
The InChIKey is KVGPBHJSRKEPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-10-6-16(7-11(10)2)9-13(8-14,15-3)12-4-5-12/h10-12,15H,4-7,9H2,1-3H3.
What are the key properties of 2-cyclopropyl-3-(3,4-dimethylpyrrolidin-1-yl)-2-(methylamino)propanenitrile?
2-cyclopropyl-3-(3,4-dimethylpyrrolidin-1-yl)-2-(methylamino)propanenitrile has a molecular weight of 221.35 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(3,4-dimethylpyrrolidin-1-yl)-2-(methylamino)propanenitrile is sourced from PubChem (CID 79184284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).