3-[1-(2-pyridin-4-ylethyl)pyrrol-2-yl]propan-1-amine

C14H19N3 — CID 170868133

IUPAC3-[1-(2-pyridin-4-ylethyl)pyrrol-2-yl]propan-1-amine
SMILESNCCCc1cccn1CCc1ccncc1
InChIInChI=1S/C14H19N3/c15-8-1-3-14-4-2-11-17(14)12-7-13-5-9-16-10-6-13/h2,4-6,9-11H,1,3,7-8,12,15H2
InChIKeyHTDUYFDRNBFTHX-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.02
Rot. Bonds6

About 3-[1-(2-pyridin-4-ylethyl)pyrrol-2-yl]propan-1-amine

3-[1-(2-pyridin-4-ylethyl)pyrrol-2-yl]propan-1-amine (PubChem CID 170868133) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 3-[1-(2-pyridin-4-ylethyl)pyrrol-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-[1-(2-pyridin-4-ylethyl)pyrrol-2-yl]propan-1-amine
PubChem CID170868133
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name3-[1-(2-pyridin-4-ylethyl)pyrrol-2-yl]propan-1-amine
SMILESNCCCc1cccn1CCc1ccncc1
InChIInChI=1S/C14H19N3/c15-8-1-3-14-4-2-11-17(14)12-7-13-5-9-16-10-6-13/h2,4-6,9-11H,1,3,7-8,12,15H2
InChIKeyHTDUYFDRNBFTHX-UHFFFAOYSA-N
XLogP2.02
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[1-(2-pyridin-4-ylethyl)pyrrol-2-yl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(2-phenylethyl)pyrrol-2-yl]methanamine
CID 66408175
1-(2-pyridin-4-ylethyl)pyrrole-2-carbonitrile
CID 114652615
2-[1-(2-pyridin-2-ylethyl)pyrrol-2-yl]ethanamine
CID 66404435
2-[2-[3-[dimethoxy(methyl)silyl]propyl]pyrrol-1-yl]ethanamine
CID 57015300
2-[1-[2-(3-chlorophenyl)ethyl]pyrrol-2-yl]ethanamine
CID 95459676
methyl 1-(2-pyridin-4-ylethyl)pyrrole-2-carboxylate
CID 154695254
2-(1-nonylpyrrol-2-yl)ethanamine
CID 66405846
1-(2-pyridin-4-ylethyl)pyrimidine-2,4-dione
CID 63811231
1-(2-pyridin-4-ylethyl)-2-sulfanylidenepyrimidin-4-one
CID 62403612
2-[1-(4-methoxybutyl)pyrrol-2-yl]ethanamine
CID 104649672
2-[1-(2-methoxyethyl)pyrrol-2-yl]ethanamine
CID 66406663
N-methyl-1-[1-(2-pyridin-3-ylethyl)pyrrol-2-yl]methanamine
CID 66400952

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-pyridin-4-ylethyl)pyrrol-2-yl]propan-1-amine?
The IUPAC name of 3-[1-(2-pyridin-4-ylethyl)pyrrol-2-yl]propan-1-amine (CID 170868133) is 3-[1-(2-pyridin-4-ylethyl)pyrrol-2-yl]propan-1-amine.
What is the SMILES notation for 3-[1-(2-pyridin-4-ylethyl)pyrrol-2-yl]propan-1-amine?
The canonical SMILES for 3-[1-(2-pyridin-4-ylethyl)pyrrol-2-yl]propan-1-amine is NCCCc1cccn1CCc1ccncc1.
What is the InChIKey of 3-[1-(2-pyridin-4-ylethyl)pyrrol-2-yl]propan-1-amine?
The InChIKey is HTDUYFDRNBFTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c15-8-1-3-14-4-2-11-17(14)12-7-13-5-9-16-10-6-13/h2,4-6,9-11H,1,3,7-8,12,15H2.
What are the key properties of 3-[1-(2-pyridin-4-ylethyl)pyrrol-2-yl]propan-1-amine?
3-[1-(2-pyridin-4-ylethyl)pyrrol-2-yl]propan-1-amine has a molecular weight of 229.33 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-pyridin-4-ylethyl)pyrrol-2-yl]propan-1-amine is sourced from PubChem (CID 170868133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).