1-[1-(pyridin-4-ylmethyl)pyrrol-2-yl]butan-2-amine

C14H19N3 — CID 66406093

IUPAC1-[1-(pyridin-4-ylmethyl)pyrrol-2-yl]butan-2-amine
SMILESCCC(N)Cc1cccn1Cc1ccncc1
InChIInChI=1S/C14H19N3/c1-2-13(15)10-14-4-3-9-17(14)11-12-5-7-16-8-6-12/h3-9,13H,2,10-11,15H2,1H3
InChIKeyPPOOGJJCGBGBFC-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.21
Rot. Bonds5

About 1-[1-(pyridin-4-ylmethyl)pyrrol-2-yl]butan-2-amine

1-[1-(pyridin-4-ylmethyl)pyrrol-2-yl]butan-2-amine (PubChem CID 66406093) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 1-[1-(pyridin-4-ylmethyl)pyrrol-2-yl]butan-2-amine.

Molecular Properties

Compound Name1-[1-(pyridin-4-ylmethyl)pyrrol-2-yl]butan-2-amine
PubChem CID66406093
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name1-[1-(pyridin-4-ylmethyl)pyrrol-2-yl]butan-2-amine
SMILESCCC(N)Cc1cccn1Cc1ccncc1
InChIInChI=1S/C14H19N3/c1-2-13(15)10-14-4-3-9-17(14)11-12-5-7-16-8-6-12/h3-9,13H,2,10-11,15H2,1H3
InChIKeyPPOOGJJCGBGBFC-UHFFFAOYSA-N
XLogP2.21
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 ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(pyridin-4-ylmethyl)pyrrol-2-yl]butan-2-amine?
The IUPAC name of 1-[1-(pyridin-4-ylmethyl)pyrrol-2-yl]butan-2-amine (CID 66406093) is 1-[1-(pyridin-4-ylmethyl)pyrrol-2-yl]butan-2-amine.
What is the SMILES notation for 1-[1-(pyridin-4-ylmethyl)pyrrol-2-yl]butan-2-amine?
The canonical SMILES for 1-[1-(pyridin-4-ylmethyl)pyrrol-2-yl]butan-2-amine is CCC(N)Cc1cccn1Cc1ccncc1.
What is the InChIKey of 1-[1-(pyridin-4-ylmethyl)pyrrol-2-yl]butan-2-amine?
The InChIKey is PPOOGJJCGBGBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-2-13(15)10-14-4-3-9-17(14)11-12-5-7-16-8-6-12/h3-9,13H,2,10-11,15H2,1H3.
What are the key properties of 1-[1-(pyridin-4-ylmethyl)pyrrol-2-yl]butan-2-amine?
1-[1-(pyridin-4-ylmethyl)pyrrol-2-yl]butan-2-amine has a molecular weight of 229.33 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(pyridin-4-ylmethyl)pyrrol-2-yl]butan-2-amine is sourced from PubChem (CID 66406093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).