5-[3-[1-(propylamino)propyl]pyrrol-1-yl]pentanenitrile

C15H25N3 — CID 79105888

IUPAC5-[3-[1-(propylamino)propyl]pyrrol-1-yl]pentanenitrile
SMILESCCCNC(CC)c1ccn(CCCCC#N)c1
InChIInChI=1S/C15H25N3/c1-3-10-17-15(4-2)14-8-12-18(13-14)11-7-5-6-9-16/h8,12-13,15,17H,3-7,10-11H2,1-2H3
InChIKeyVQDGRFJZFSLHLS-UHFFFAOYSA-N
MW247.39 g/mol
LogP3.63
Rot. Bonds9

About 5-[3-[1-(propylamino)propyl]pyrrol-1-yl]pentanenitrile

5-[3-[1-(propylamino)propyl]pyrrol-1-yl]pentanenitrile (PubChem CID 79105888) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 5-[3-[1-(propylamino)propyl]pyrrol-1-yl]pentanenitrile.

Molecular Properties

Compound Name5-[3-[1-(propylamino)propyl]pyrrol-1-yl]pentanenitrile
PubChem CID79105888
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name5-[3-[1-(propylamino)propyl]pyrrol-1-yl]pentanenitrile
SMILESCCCNC(CC)c1ccn(CCCCC#N)c1
InChIInChI=1S/C15H25N3/c1-3-10-17-15(4-2)14-8-12-18(13-14)11-7-5-6-9-16/h8,12-13,15,17H,3-7,10-11H2,1-2H3
InChIKeyVQDGRFJZFSLHLS-UHFFFAOYSA-N
XLogP3.63
TPSA40.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[1-[3-(dimethylamino)propyl]pyrrol-3-yl]-N-propylpropan-1-amine
CID 114526215
1-[1-[2-(diethylamino)ethyl]pyrrol-3-yl]-N-propylpropan-1-amine
CID 79104740
1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrol-3-yl]-N-propylpropan-1-amine
CID 112591101
N-propyl-1-[1-(2-pyrazol-1-ylethyl)pyrrol-3-yl]propan-1-amine
CID 79105358
1-[1-(2-imidazol-1-ylethyl)pyrrol-3-yl]-N-propylpropan-1-amine
CID 79104998
4-[3-[1-(ethylamino)ethyl]pyrrol-1-yl]butanenitrile
CID 79099532
N-butyl-2-[3-[1-(propylamino)propyl]pyrrol-1-yl]acetamide
CID 79105170
1-[2-[3-[1-(propylamino)propyl]pyrrol-1-yl]ethyl]pyridin-2-one
CID 82899275
5-[3-[1-(ethylamino)propyl]pyrrol-1-yl]-2,2-dimethylpentanenitrile
CID 79105436
N-propyl-1-[1-(2-thiophen-2-ylethyl)pyrrol-3-yl]propan-1-amine
CID 79105617
ethyl 2-[3-[1-(propylamino)propyl]pyrrol-1-yl]acetate
CID 79105168
butyl 2-[3-[1-(propylamino)propyl]pyrrol-1-yl]acetate
CID 79105259

Frequently Asked Questions

What is the IUPAC name of 5-[3-[1-(propylamino)propyl]pyrrol-1-yl]pentanenitrile?
The IUPAC name of 5-[3-[1-(propylamino)propyl]pyrrol-1-yl]pentanenitrile (CID 79105888) is 5-[3-[1-(propylamino)propyl]pyrrol-1-yl]pentanenitrile.
What is the SMILES notation for 5-[3-[1-(propylamino)propyl]pyrrol-1-yl]pentanenitrile?
The canonical SMILES for 5-[3-[1-(propylamino)propyl]pyrrol-1-yl]pentanenitrile is CCCNC(CC)c1ccn(CCCCC#N)c1.
What is the InChIKey of 5-[3-[1-(propylamino)propyl]pyrrol-1-yl]pentanenitrile?
The InChIKey is VQDGRFJZFSLHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-3-10-17-15(4-2)14-8-12-18(13-14)11-7-5-6-9-16/h8,12-13,15,17H,3-7,10-11H2,1-2H3.
What are the key properties of 5-[3-[1-(propylamino)propyl]pyrrol-1-yl]pentanenitrile?
5-[3-[1-(propylamino)propyl]pyrrol-1-yl]pentanenitrile has a molecular weight of 247.39 g/mol, XLogP of 3.63, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[1-(propylamino)propyl]pyrrol-1-yl]pentanenitrile is sourced from PubChem (CID 79105888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).