3-(N-pyrrolidin-3-ylanilino)propanenitrile

C13H17N3 — CID 79468711

IUPAC3-(N-pyrrolidin-3-ylanilino)propanenitrile
SMILESN#CCCN(c1ccccc1)C1CCNC1
InChIInChI=1S/C13H17N3/c14-8-4-10-16(13-7-9-15-11-13)12-5-2-1-3-6-12/h1-3,5-6,13,15H,4,7,9-11H2
InChIKeyYZRZDIDUSHCGAJ-UHFFFAOYSA-N
MW215.30 g/mol
LogP1.77
Rot. Bonds4

About 3-(N-pyrrolidin-3-ylanilino)propanenitrile

3-(N-pyrrolidin-3-ylanilino)propanenitrile (PubChem CID 79468711) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 3-(N-pyrrolidin-3-ylanilino)propanenitrile.

Molecular Properties

Compound Name3-(N-pyrrolidin-3-ylanilino)propanenitrile
PubChem CID79468711
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name3-(N-pyrrolidin-3-ylanilino)propanenitrile
SMILESN#CCCN(c1ccccc1)C1CCNC1
InChIInChI=1S/C13H17N3/c14-8-4-10-16(13-7-9-15-11-13)12-5-2-1-3-6-12/h1-3,5-6,13,15H,4,7,9-11H2
InChIKeyYZRZDIDUSHCGAJ-UHFFFAOYSA-N
XLogP1.77
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[N-(azetidin-3-yl)anilino]propanenitrile
CID 79468996
3-(N-cyclohexylanilino)propanenitrile
CID 43183263
4-[methyl(pyrrolidin-3-yl)amino]butanenitrile
CID 63301779
N-(2-cyanoethyl)-N-methyl-2-[methyl(pyrrolidin-3-yl)amino]acetamide
CID 63301635
4-[propyl(pyrrolidin-3-yl)amino]pyridine-2-carbonitrile
CID 55205925
3-[methyl(pyrrolidin-3-yl)amino]benzonitrile;dihydrochloride
CID 122156861
2-(2-cyano-N-pyrrolidin-3-ylanilino)acetamide
CID 70202184
N-benzyl-N-methylpyrrolidin-3-amine
CID 14834678
N-(4-bromophenyl)-N-ethylpyrrolidin-3-amine
CID 70794412
N-ethyl-N-phenylazepan-4-amine
CID 112690283
1-(N-piperidin-4-ylanilino)propan-2-one
CID 15358
N-(2-cyanoethyl)-2-cyclohexyl-N-phenylacetamide
CID 28780447

Frequently Asked Questions

What is the IUPAC name of 3-(N-pyrrolidin-3-ylanilino)propanenitrile?
The IUPAC name of 3-(N-pyrrolidin-3-ylanilino)propanenitrile (CID 79468711) is 3-(N-pyrrolidin-3-ylanilino)propanenitrile.
What is the SMILES notation for 3-(N-pyrrolidin-3-ylanilino)propanenitrile?
The canonical SMILES for 3-(N-pyrrolidin-3-ylanilino)propanenitrile is N#CCCN(c1ccccc1)C1CCNC1.
What is the InChIKey of 3-(N-pyrrolidin-3-ylanilino)propanenitrile?
The InChIKey is YZRZDIDUSHCGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c14-8-4-10-16(13-7-9-15-11-13)12-5-2-1-3-6-12/h1-3,5-6,13,15H,4,7,9-11H2.
What are the key properties of 3-(N-pyrrolidin-3-ylanilino)propanenitrile?
3-(N-pyrrolidin-3-ylanilino)propanenitrile has a molecular weight of 215.30 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-pyrrolidin-3-ylanilino)propanenitrile is sourced from PubChem (CID 79468711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).