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

C15H27N3 — CID 79184760

IUPAC2-cyclopropyl-3-(3,4-dimethylpyrrolidin-1-yl)-2-(propan-2-ylamino)propanenitrile
SMILESCC(C)NC(C#N)(CN1CC(C)C(C)C1)C1CC1
InChIInChI=1S/C15H27N3/c1-11(2)17-15(9-16,14-5-6-14)10-18-7-12(3)13(4)8-18/h11-14,17H,5-8,10H2,1-4H3
InChIKeyAROXQMYNZUFROL-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.24
Rot. Bonds5

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

2-cyclopropyl-3-(3,4-dimethylpyrrolidin-1-yl)-2-(propan-2-ylamino)propanenitrile (PubChem CID 79184760) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-cyclopropyl-3-(3,4-dimethylpyrrolidin-1-yl)-2-(propan-2-ylamino)propanenitrile.

Molecular Properties

Compound Name2-cyclopropyl-3-(3,4-dimethylpyrrolidin-1-yl)-2-(propan-2-ylamino)propanenitrile
PubChem CID79184760
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name2-cyclopropyl-3-(3,4-dimethylpyrrolidin-1-yl)-2-(propan-2-ylamino)propanenitrile
SMILESCC(C)NC(C#N)(CN1CC(C)C(C)C1)C1CC1
InChIInChI=1S/C15H27N3/c1-11(2)17-15(9-16,14-5-6-14)10-18-7-12(3)13(4)8-18/h11-14,17H,5-8,10H2,1-4H3
InChIKeyAROXQMYNZUFROL-UHFFFAOYSA-N
XLogP2.24
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-3-(3,4-dimethylpyrrolidin-1-yl)-2-(methylamino)propanenitrile
CID 79184284
2-cyclopropyl-3-(4-methoxypiperidin-1-yl)-2-(propan-2-ylamino)propanenitrile
CID 63912431
2-cyclopropyl-3-(4-ethyl-4-methylpiperidin-1-yl)-2-(propan-2-ylamino)propanenitrile
CID 63906865
1-[2-cyano-2-cyclopropyl-2-(propan-2-ylamino)ethyl]-N-methylpiperidine-3-carboxamide
CID 103198001
2-cyclopropyl-3-imidazol-1-yl-2-(propan-2-ylamino)propanenitrile
CID 63906457
2-cyclopropyl-3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-(propan-2-ylamino)propanenitrile
CID 64836840
2-cyclopropyl-3-methylsulfanyl-2-(propan-2-ylamino)propanenitrile
CID 63907007
2-cyclopropyl-2-(propan-2-ylamino)-3-(3,4,5-trimethylpyrazol-1-yl)propanenitrile
CID 63905645
2-cyclopropyl-3-(2,6-dimethylmorpholin-4-yl)-2-(methylamino)propanenitrile
CID 63914585
2-cyclopropyl-3-(4-methylpyrazol-1-yl)-2-(propan-2-ylamino)propanenitrile
CID 63906887
3-cyclopentylsulfanyl-2-cyclopropyl-2-(propan-2-ylamino)propanenitrile
CID 63907237
3-(4-butan-2-ylpiperazin-1-yl)-2-cyclopropyl-2-(ethylamino)propanenitrile
CID 63913794

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(3,4-dimethylpyrrolidin-1-yl)-2-(propan-2-ylamino)propanenitrile?
The IUPAC name of 2-cyclopropyl-3-(3,4-dimethylpyrrolidin-1-yl)-2-(propan-2-ylamino)propanenitrile (CID 79184760) is 2-cyclopropyl-3-(3,4-dimethylpyrrolidin-1-yl)-2-(propan-2-ylamino)propanenitrile.
What is the SMILES notation for 2-cyclopropyl-3-(3,4-dimethylpyrrolidin-1-yl)-2-(propan-2-ylamino)propanenitrile?
The canonical SMILES for 2-cyclopropyl-3-(3,4-dimethylpyrrolidin-1-yl)-2-(propan-2-ylamino)propanenitrile is CC(C)NC(C#N)(CN1CC(C)C(C)C1)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(3,4-dimethylpyrrolidin-1-yl)-2-(propan-2-ylamino)propanenitrile?
The InChIKey is AROXQMYNZUFROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-11(2)17-15(9-16,14-5-6-14)10-18-7-12(3)13(4)8-18/h11-14,17H,5-8,10H2,1-4H3.
What are the key properties of 2-cyclopropyl-3-(3,4-dimethylpyrrolidin-1-yl)-2-(propan-2-ylamino)propanenitrile?
2-cyclopropyl-3-(3,4-dimethylpyrrolidin-1-yl)-2-(propan-2-ylamino)propanenitrile has a molecular weight of 249.40 g/mol, XLogP of 2.24, 5 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-(propan-2-ylamino)propanenitrile is sourced from PubChem (CID 79184760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).