2-[(1-ethylpyrrolidin-3-yl)amino]propanenitrile

C9H17N3 — CID 130921557

IUPAC2-[(1-ethylpyrrolidin-3-yl)amino]propanenitrile
SMILESCCN1CCC(NC(C)C#N)C1
InChIInChI=1S/C9H17N3/c1-3-12-5-4-9(7-12)11-8(2)6-10/h8-9,11H,3-5,7H2,1-2H3
InChIKeyGHJDELJJKDFPHN-UHFFFAOYSA-N
MW167.26 g/mol
LogP0.58
Rot. Bonds3

About 2-[(1-ethylpyrrolidin-3-yl)amino]propanenitrile

2-[(1-ethylpyrrolidin-3-yl)amino]propanenitrile (PubChem CID 130921557) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 2-[(1-ethylpyrrolidin-3-yl)amino]propanenitrile.

Molecular Properties

Compound Name2-[(1-ethylpyrrolidin-3-yl)amino]propanenitrile
PubChem CID130921557
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name2-[(1-ethylpyrrolidin-3-yl)amino]propanenitrile
SMILESCCN1CCC(NC(C)C#N)C1
InChIInChI=1S/C9H17N3/c1-3-12-5-4-9(7-12)11-8(2)6-10/h8-9,11H,3-5,7H2,1-2H3
InChIKeyGHJDELJJKDFPHN-UHFFFAOYSA-N
XLogP0.58
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-ethylazetidin-3-yl)amino]propanenitrile
CID 130690180
2-[3-(propan-2-ylamino)pyrrolidin-1-yl]acetonitrile
CID 170381955
1-ethyl-N-(2-methylbutyl)pyrrolidin-3-amine
CID 142317585
N-butan-2-yl-1-ethylpiperidin-4-amine
CID 43177306
2-cyano-N-(1-ethylpiperidin-3-yl)propanamide
CID 55208553
1-ethyl-N-(4-methylpentan-2-yl)piperidin-3-amine
CID 61169975
(2S)-2-amino-N-(1-ethylpyrrolidin-3-yl)propanamide
CID 130979651
N-(1-cyclohexylethyl)-1-ethylpiperidin-3-amine
CID 61170770
(3S)-1-(2-methylpropyl)-N-propan-2-ylpyrrolidin-3-amine
CID 164836687
(3R)-3-[(1-ethylpiperidin-4-yl)amino]butan-1-ol
CID 103914392
(3R)-N-[di(cyclobutyl)methyl]-1-ethylpiperidin-3-amine
CID 124848782
1-ethyl-N-(3-methoxybutan-2-yl)piperidin-3-amine
CID 115711412

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylpyrrolidin-3-yl)amino]propanenitrile?
The IUPAC name of 2-[(1-ethylpyrrolidin-3-yl)amino]propanenitrile (CID 130921557) is 2-[(1-ethylpyrrolidin-3-yl)amino]propanenitrile.
What is the SMILES notation for 2-[(1-ethylpyrrolidin-3-yl)amino]propanenitrile?
The canonical SMILES for 2-[(1-ethylpyrrolidin-3-yl)amino]propanenitrile is CCN1CCC(NC(C)C#N)C1.
What is the InChIKey of 2-[(1-ethylpyrrolidin-3-yl)amino]propanenitrile?
The InChIKey is GHJDELJJKDFPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-3-12-5-4-9(7-12)11-8(2)6-10/h8-9,11H,3-5,7H2,1-2H3.
What are the key properties of 2-[(1-ethylpyrrolidin-3-yl)amino]propanenitrile?
2-[(1-ethylpyrrolidin-3-yl)amino]propanenitrile has a molecular weight of 167.26 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylpyrrolidin-3-yl)amino]propanenitrile is sourced from PubChem (CID 130921557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).