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

C14H19N3 — CID 66406292

IUPAC1-[1-(2-pyridin-4-ylethyl)pyrrol-3-yl]propan-2-amine
SMILESCC(N)Cc1ccn(CCc2ccncc2)c1
InChIInChI=1S/C14H19N3/c1-12(15)10-14-5-9-17(11-14)8-4-13-2-6-16-7-3-13/h2-3,5-7,9,11-12H,4,8,10,15H2,1H3
InChIKeyXHRKHCNSEZZCQJ-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.02
Rot. Bonds5

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

1-[1-(2-pyridin-4-ylethyl)pyrrol-3-yl]propan-2-amine (PubChem CID 66406292) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 1-[1-(2-pyridin-4-ylethyl)pyrrol-3-yl]propan-2-amine.

Molecular Properties

Compound Name1-[1-(2-pyridin-4-ylethyl)pyrrol-3-yl]propan-2-amine
PubChem CID66406292
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name1-[1-(2-pyridin-4-ylethyl)pyrrol-3-yl]propan-2-amine
SMILESCC(N)Cc1ccn(CCc2ccncc2)c1
InChIInChI=1S/C14H19N3/c1-12(15)10-14-5-9-17(11-14)8-4-13-2-6-16-7-3-13/h2-3,5-7,9,11-12H,4,8,10,15H2,1H3
InChIKeyXHRKHCNSEZZCQJ-UHFFFAOYSA-N
XLogP2.02
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-pyridin-4-ylethyl)pyrrol-3-yl]propan-2-amine?
The IUPAC name of 1-[1-(2-pyridin-4-ylethyl)pyrrol-3-yl]propan-2-amine (CID 66406292) is 1-[1-(2-pyridin-4-ylethyl)pyrrol-3-yl]propan-2-amine.
What is the SMILES notation for 1-[1-(2-pyridin-4-ylethyl)pyrrol-3-yl]propan-2-amine?
The canonical SMILES for 1-[1-(2-pyridin-4-ylethyl)pyrrol-3-yl]propan-2-amine is CC(N)Cc1ccn(CCc2ccncc2)c1.
What is the InChIKey of 1-[1-(2-pyridin-4-ylethyl)pyrrol-3-yl]propan-2-amine?
The InChIKey is XHRKHCNSEZZCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-12(15)10-14-5-9-17(11-14)8-4-13-2-6-16-7-3-13/h2-3,5-7,9,11-12H,4,8,10,15H2,1H3.
What are the key properties of 1-[1-(2-pyridin-4-ylethyl)pyrrol-3-yl]propan-2-amine?
1-[1-(2-pyridin-4-ylethyl)pyrrol-3-yl]propan-2-amine has a molecular weight of 229.33 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-pyridin-4-ylethyl)pyrrol-3-yl]propan-2-amine is sourced from PubChem (CID 66406292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).