N-propyl-1-[1-(pyridin-2-ylmethyl)pyrrol-3-yl]propan-1-amine

C16H23N3 — CID 79104557

IUPACN-propyl-1-[1-(pyridin-2-ylmethyl)pyrrol-3-yl]propan-1-amine
SMILESCCCNC(CC)c1ccn(Cc2ccccn2)c1
InChIInChI=1S/C16H23N3/c1-3-9-18-16(4-2)14-8-11-19(12-14)13-15-7-5-6-10-17-15/h5-8,10-12,16,18H,3-4,9,13H2,1-2H3
InChIKeyUVDLAADNWPRSFN-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.38
Rot. Bonds7

About N-propyl-1-[1-(pyridin-2-ylmethyl)pyrrol-3-yl]propan-1-amine

N-propyl-1-[1-(pyridin-2-ylmethyl)pyrrol-3-yl]propan-1-amine (PubChem CID 79104557) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-propyl-1-[1-(pyridin-2-ylmethyl)pyrrol-3-yl]propan-1-amine.

Molecular Properties

Compound NameN-propyl-1-[1-(pyridin-2-ylmethyl)pyrrol-3-yl]propan-1-amine
PubChem CID79104557
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC NameN-propyl-1-[1-(pyridin-2-ylmethyl)pyrrol-3-yl]propan-1-amine
SMILESCCCNC(CC)c1ccn(Cc2ccccn2)c1
InChIInChI=1S/C16H23N3/c1-3-9-18-16(4-2)14-8-11-19(12-14)13-15-7-5-6-10-17-15/h5-8,10-12,16,18H,3-4,9,13H2,1-2H3
InChIKeyUVDLAADNWPRSFN-UHFFFAOYSA-N
XLogP3.38
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[(1-methylimidazol-2-yl)methyl]pyrrol-3-yl]-N-propylpropan-1-amine
CID 79104829
1-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrol-3-yl]-N-propylpropan-1-amine
CID 79109772
N-ethyl-2-methyl-1-[1-(pyridin-2-ylmethyl)pyrrol-3-yl]propan-1-amine
CID 79097553
N-propyl-1-[1-(2-pyrazol-1-ylethyl)pyrrol-3-yl]propan-1-amine
CID 79105358
N-propyl-1-[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine
CID 79109793
1-[1-(2-imidazol-1-ylethyl)pyrrol-3-yl]-N-propylpropan-1-amine
CID 79104998
1-[1-[(2,3-dichlorophenyl)methyl]pyrrol-3-yl]-N-propylpropan-1-amine
CID 107307292
N-ethyl-1-[1-(2-pyridin-2-ylethyl)pyrrol-3-yl]butan-1-amine
CID 79109741
1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrol-3-yl]-N-propylpropan-1-amine
CID 112591101
1-[1-[(5-bromo-2-pyridinyl)methyl]pyrrol-3-yl]-N-ethylpropan-1-amine
CID 104801330
1-[2-[3-[1-(propylamino)propyl]pyrrol-1-yl]ethyl]pyridin-2-one
CID 82899275
N-propyl-1-[1-(pyridin-4-ylmethyl)pyrrol-3-yl]butan-1-amine
CID 79108315

Frequently Asked Questions

What is the IUPAC name of N-propyl-1-[1-(pyridin-2-ylmethyl)pyrrol-3-yl]propan-1-amine?
The IUPAC name of N-propyl-1-[1-(pyridin-2-ylmethyl)pyrrol-3-yl]propan-1-amine (CID 79104557) is N-propyl-1-[1-(pyridin-2-ylmethyl)pyrrol-3-yl]propan-1-amine.
What is the SMILES notation for N-propyl-1-[1-(pyridin-2-ylmethyl)pyrrol-3-yl]propan-1-amine?
The canonical SMILES for N-propyl-1-[1-(pyridin-2-ylmethyl)pyrrol-3-yl]propan-1-amine is CCCNC(CC)c1ccn(Cc2ccccn2)c1.
What is the InChIKey of N-propyl-1-[1-(pyridin-2-ylmethyl)pyrrol-3-yl]propan-1-amine?
The InChIKey is UVDLAADNWPRSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-3-9-18-16(4-2)14-8-11-19(12-14)13-15-7-5-6-10-17-15/h5-8,10-12,16,18H,3-4,9,13H2,1-2H3.
What are the key properties of N-propyl-1-[1-(pyridin-2-ylmethyl)pyrrol-3-yl]propan-1-amine?
N-propyl-1-[1-(pyridin-2-ylmethyl)pyrrol-3-yl]propan-1-amine has a molecular weight of 257.38 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-[1-(pyridin-2-ylmethyl)pyrrol-3-yl]propan-1-amine is sourced from PubChem (CID 79104557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).