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

C15H25N3 — CID 113418576

IUPAC2-cyclopropyl-2-(cyclopropylamino)-3-(3-ethylpyrrolidin-1-yl)propanenitrile
SMILESCCC1CCN(CC(C#N)(NC2CC2)C2CC2)C1
InChIInChI=1S/C15H25N3/c1-2-12-7-8-18(9-12)11-15(10-16,13-3-4-13)17-14-5-6-14/h12-14,17H,2-9,11H2,1H3
InChIKeyNJBSPRXEZKTQSH-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.14
Rot. Bonds6

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

2-cyclopropyl-2-(cyclopropylamino)-3-(3-ethylpyrrolidin-1-yl)propanenitrile (PubChem CID 113418576) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 2-cyclopropyl-2-(cyclopropylamino)-3-(3-ethylpyrrolidin-1-yl)propanenitrile.

Molecular Properties

Compound Name2-cyclopropyl-2-(cyclopropylamino)-3-(3-ethylpyrrolidin-1-yl)propanenitrile
PubChem CID113418576
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name2-cyclopropyl-2-(cyclopropylamino)-3-(3-ethylpyrrolidin-1-yl)propanenitrile
SMILESCCC1CCN(CC(C#N)(NC2CC2)C2CC2)C1
InChIInChI=1S/C15H25N3/c1-2-12-7-8-18(9-12)11-15(10-16,13-3-4-13)17-14-5-6-14/h12-14,17H,2-9,11H2,1H3
InChIKeyNJBSPRXEZKTQSH-UHFFFAOYSA-N
XLogP2.14
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-2-(cyclopropylamino)-3-(3-methylpyrrolidin-1-yl)propanenitrile
CID 63914415
1-[2-cyano-2-cyclopropyl-2-(cyclopropylamino)ethyl]piperidine-3-carboxamide
CID 63915230
2-(cyclopropylamino)-2-ethyl-5-(3-ethylpyrrolidin-1-yl)pentanenitrile
CID 106803966
2-cyclopropyl-3-[4-(methoxymethyl)piperidin-1-yl]-2-(methylamino)propanenitrile
CID 63971203
2-cyclopropyl-3-(4-methylpiperidin-1-yl)-2-(propylamino)propanenitrile
CID 63913937
2-amino-2-cyclopropyl-3-(4-ethylpiperidin-1-yl)propanenitrile
CID 63912714
2-cyclopropyl-3-(3-methylpiperidin-1-yl)-2-(propylamino)propanenitrile
CID 63912194
2-cyclopropyl-2-(cyclopropylamino)-3-[3-(methoxymethyl)pyrrolidin-1-yl]propanoic acid
CID 64583342
2-cyclopropyl-3-(3,4-dimethylpyrrolidin-1-yl)-2-(methylamino)propanenitrile
CID 79184284
N-[2-[(3-ethylpyrrolidin-1-yl)methyl]-2-methylpentyl]cyclopropanamine
CID 113418855
3-[butan-2-yl(methyl)amino]-2-cyclopropyl-2-(cyclopropylamino)propanenitrile
CID 63913080
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-ethylpyrrolidin-1-yl)propanenitrile?
The IUPAC name of 2-cyclopropyl-2-(cyclopropylamino)-3-(3-ethylpyrrolidin-1-yl)propanenitrile (CID 113418576) is 2-cyclopropyl-2-(cyclopropylamino)-3-(3-ethylpyrrolidin-1-yl)propanenitrile.
What is the SMILES notation for 2-cyclopropyl-2-(cyclopropylamino)-3-(3-ethylpyrrolidin-1-yl)propanenitrile?
The canonical SMILES for 2-cyclopropyl-2-(cyclopropylamino)-3-(3-ethylpyrrolidin-1-yl)propanenitrile is CCC1CCN(CC(C#N)(NC2CC2)C2CC2)C1.
What is the InChIKey of 2-cyclopropyl-2-(cyclopropylamino)-3-(3-ethylpyrrolidin-1-yl)propanenitrile?
The InChIKey is NJBSPRXEZKTQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-2-12-7-8-18(9-12)11-15(10-16,13-3-4-13)17-14-5-6-14/h12-14,17H,2-9,11H2,1H3.
What are the key properties of 2-cyclopropyl-2-(cyclopropylamino)-3-(3-ethylpyrrolidin-1-yl)propanenitrile?
2-cyclopropyl-2-(cyclopropylamino)-3-(3-ethylpyrrolidin-1-yl)propanenitrile has a molecular weight of 247.39 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-cyclopropyl-2-(cyclopropylamino)-3-(3-ethylpyrrolidin-1-yl)propanenitrile is sourced from PubChem (CID 113418576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).