2-cyclopropyl-2-(cyclopropylamino)-3-(3-methylpyrrolidin-1-yl)propanenitrile

C14H23N3 — CID 63914415

IUPAC2-cyclopropyl-2-(cyclopropylamino)-3-(3-methylpyrrolidin-1-yl)propanenitrile
SMILESCC1CCN(CC(C#N)(NC2CC2)C2CC2)C1
InChIInChI=1S/C14H23N3/c1-11-6-7-17(8-11)10-14(9-15,12-2-3-12)16-13-4-5-13/h11-13,16H,2-8,10H2,1H3
InChIKeyJWPMVAHDHDKXON-UHFFFAOYSA-N
MW233.36 g/mol
LogP1.75
Rot. Bonds5

About 2-cyclopropyl-2-(cyclopropylamino)-3-(3-methylpyrrolidin-1-yl)propanenitrile

2-cyclopropyl-2-(cyclopropylamino)-3-(3-methylpyrrolidin-1-yl)propanenitrile (PubChem CID 63914415) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 2-cyclopropyl-2-(cyclopropylamino)-3-(3-methylpyrrolidin-1-yl)propanenitrile.

Molecular Properties

Compound Name2-cyclopropyl-2-(cyclopropylamino)-3-(3-methylpyrrolidin-1-yl)propanenitrile
PubChem CID63914415
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name2-cyclopropyl-2-(cyclopropylamino)-3-(3-methylpyrrolidin-1-yl)propanenitrile
SMILESCC1CCN(CC(C#N)(NC2CC2)C2CC2)C1
InChIInChI=1S/C14H23N3/c1-11-6-7-17(8-11)10-14(9-15,12-2-3-12)16-13-4-5-13/h11-13,16H,2-8,10H2,1H3
InChIKeyJWPMVAHDHDKXON-UHFFFAOYSA-N
XLogP1.75
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-2-(cyclopropylamino)-3-(3-ethylpyrrolidin-1-yl)propanenitrile
CID 113418576
2-cyclopropyl-3-(3-methylpiperidin-1-yl)-2-(propylamino)propanenitrile
CID 63912194
2-cyclopropyl-3-(4-methylpiperidin-1-yl)-2-(propylamino)propanenitrile
CID 63913937
1-[2-cyano-2-cyclopropyl-2-(cyclopropylamino)ethyl]piperidine-3-carboxamide
CID 63915230
2-cyclopropyl-3-(3,4-dimethylpyrrolidin-1-yl)-2-(methylamino)propanenitrile
CID 79184284
2-(cyclopropylamino)-2-methyl-3-(3-methylpyrrolidin-1-yl)propan-1-ol
CID 64828276
2-cyclopropyl-3-(2,6-dimethylmorpholin-4-yl)-2-(methylamino)propanenitrile
CID 63914585
2-cyclopropyl-2-(methylamino)-3-morpholin-4-ylpropanenitrile
CID 63914583
2-cyclopropyl-3-[4-(methoxymethyl)piperidin-1-yl]-2-(methylamino)propanenitrile
CID 63971203
3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-cyclopropyl-2-(methylamino)propanenitrile
CID 79934812
2-cyclopropyl-3-(3,4-dimethylpyrrolidin-1-yl)-2-(propan-2-ylamino)propanenitrile
CID 79184760
2-cyclopropyl-2-(cyclopropylamino)-3-[methyl(2,2,2-trifluoroethyl)amino]propanenitrile
CID 63912887

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(cyclopropylamino)-3-(3-methylpyrrolidin-1-yl)propanenitrile?
The IUPAC name of 2-cyclopropyl-2-(cyclopropylamino)-3-(3-methylpyrrolidin-1-yl)propanenitrile (CID 63914415) is 2-cyclopropyl-2-(cyclopropylamino)-3-(3-methylpyrrolidin-1-yl)propanenitrile.
What is the SMILES notation for 2-cyclopropyl-2-(cyclopropylamino)-3-(3-methylpyrrolidin-1-yl)propanenitrile?
The canonical SMILES for 2-cyclopropyl-2-(cyclopropylamino)-3-(3-methylpyrrolidin-1-yl)propanenitrile is CC1CCN(CC(C#N)(NC2CC2)C2CC2)C1.
What is the InChIKey of 2-cyclopropyl-2-(cyclopropylamino)-3-(3-methylpyrrolidin-1-yl)propanenitrile?
The InChIKey is JWPMVAHDHDKXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-11-6-7-17(8-11)10-14(9-15,12-2-3-12)16-13-4-5-13/h11-13,16H,2-8,10H2,1H3.
What are the key properties of 2-cyclopropyl-2-(cyclopropylamino)-3-(3-methylpyrrolidin-1-yl)propanenitrile?
2-cyclopropyl-2-(cyclopropylamino)-3-(3-methylpyrrolidin-1-yl)propanenitrile has a molecular weight of 233.36 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(cyclopropylamino)-3-(3-methylpyrrolidin-1-yl)propanenitrile is sourced from PubChem (CID 63914415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).