3-phenyl-3-(2-pyrrolidin-1-ylethylamino)propanenitrile

C15H21N3 — CID 62778213

IUPAC3-phenyl-3-(2-pyrrolidin-1-ylethylamino)propanenitrile
SMILESN#CCC(NCCN1CCCC1)c1ccccc1
InChIInChI=1S/C15H21N3/c16-9-8-15(14-6-2-1-3-7-14)17-10-13-18-11-4-5-12-18/h1-3,6-7,15,17H,4-5,8,10-13H2
InChIKeyLZUFRPIRQVRPDV-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.33
Rot. Bonds6

About 3-phenyl-3-(2-pyrrolidin-1-ylethylamino)propanenitrile

3-phenyl-3-(2-pyrrolidin-1-ylethylamino)propanenitrile (PubChem CID 62778213) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 3-phenyl-3-(2-pyrrolidin-1-ylethylamino)propanenitrile.

Molecular Properties

Compound Name3-phenyl-3-(2-pyrrolidin-1-ylethylamino)propanenitrile
PubChem CID62778213
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name3-phenyl-3-(2-pyrrolidin-1-ylethylamino)propanenitrile
SMILESN#CCC(NCCN1CCCC1)c1ccccc1
InChIInChI=1S/C15H21N3/c16-9-8-15(14-6-2-1-3-7-14)17-10-13-18-11-4-5-12-18/h1-3,6-7,15,17H,4-5,8,10-13H2
InChIKeyLZUFRPIRQVRPDV-UHFFFAOYSA-N
XLogP2.33
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-morpholin-4-ylethyl)-1-phenyl-2-piperidin-1-ylethanamine
CID 51000971
1-phenyl-N-(3-pyrrolidin-1-ylpropyl)propan-1-amine
CID 43203842
N-(2-chloro-1-phenylethyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 65026030
3-[2-(1-methylpyrazol-4-yl)ethylamino]-3-phenylpropanenitrile
CID 80689488
N-(2-methoxy-1-phenylethyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 103913589
1-phenyl-N-(3-piperidin-1-ylpropyl)butan-1-amine
CID 43098185
3-[(1-methylpiperidin-4-yl)methylamino]-3-phenylpropanenitrile
CID 55117440
N-[(1R)-1-phenyl-2-piperidin-1-ylethyl]propan-1-amine
CID 58330527
3-(pent-3-ynylamino)-3-phenylpropanenitrile
CID 116643737
3-[(1-methylpyrrolidin-3-yl)methylamino]-3-phenylpropanenitrile
CID 55117722
3-[(2-cyano-1-phenylethyl)amino]propanamide
CID 62779874
2-methoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]-1-phenylethanamine
CID 103464013

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-3-(2-pyrrolidin-1-ylethylamino)propanenitrile?
The IUPAC name of 3-phenyl-3-(2-pyrrolidin-1-ylethylamino)propanenitrile (CID 62778213) is 3-phenyl-3-(2-pyrrolidin-1-ylethylamino)propanenitrile.
What is the SMILES notation for 3-phenyl-3-(2-pyrrolidin-1-ylethylamino)propanenitrile?
The canonical SMILES for 3-phenyl-3-(2-pyrrolidin-1-ylethylamino)propanenitrile is N#CCC(NCCN1CCCC1)c1ccccc1.
What is the InChIKey of 3-phenyl-3-(2-pyrrolidin-1-ylethylamino)propanenitrile?
The InChIKey is LZUFRPIRQVRPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c16-9-8-15(14-6-2-1-3-7-14)17-10-13-18-11-4-5-12-18/h1-3,6-7,15,17H,4-5,8,10-13H2.
What are the key properties of 3-phenyl-3-(2-pyrrolidin-1-ylethylamino)propanenitrile?
3-phenyl-3-(2-pyrrolidin-1-ylethylamino)propanenitrile has a molecular weight of 243.35 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-3-(2-pyrrolidin-1-ylethylamino)propanenitrile is sourced from PubChem (CID 62778213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).