N-[(5-propylfuran-2-yl)methyl]pyridin-4-amine

C13H16N2O — CID 122651131

IUPACN-[(5-propylfuran-2-yl)methyl]pyridin-4-amine
SMILESCCCc1ccc(CNc2ccncc2)o1
InChIInChI=1S/C13H16N2O/c1-2-3-12-4-5-13(16-12)10-15-11-6-8-14-9-7-11/h4-9H,2-3,10H2,1H3,(H,14,15)
InChIKeyWWJNFOLQWGMOOS-UHFFFAOYSA-N
MW216.28 g/mol
LogP3.24
Rot. Bonds5

About N-[(5-propylfuran-2-yl)methyl]pyridin-4-amine

N-[(5-propylfuran-2-yl)methyl]pyridin-4-amine (PubChem CID 122651131) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is N-[(5-propylfuran-2-yl)methyl]pyridin-4-amine.

Molecular Properties

Compound NameN-[(5-propylfuran-2-yl)methyl]pyridin-4-amine
PubChem CID122651131
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC NameN-[(5-propylfuran-2-yl)methyl]pyridin-4-amine
SMILESCCCc1ccc(CNc2ccncc2)o1
InChIInChI=1S/C13H16N2O/c1-2-3-12-4-5-13(16-12)10-15-11-6-8-14-9-7-11/h4-9H,2-3,10H2,1H3,(H,14,15)
InChIKeyWWJNFOLQWGMOOS-UHFFFAOYSA-N
XLogP3.24
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-propylfuran-2-yl)methyl]pyridin-4-amine?
The IUPAC name of N-[(5-propylfuran-2-yl)methyl]pyridin-4-amine (CID 122651131) is N-[(5-propylfuran-2-yl)methyl]pyridin-4-amine.
What is the SMILES notation for N-[(5-propylfuran-2-yl)methyl]pyridin-4-amine?
The canonical SMILES for N-[(5-propylfuran-2-yl)methyl]pyridin-4-amine is CCCc1ccc(CNc2ccncc2)o1.
What is the InChIKey of N-[(5-propylfuran-2-yl)methyl]pyridin-4-amine?
The InChIKey is WWJNFOLQWGMOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-2-3-12-4-5-13(16-12)10-15-11-6-8-14-9-7-11/h4-9H,2-3,10H2,1H3,(H,14,15).
What are the key properties of N-[(5-propylfuran-2-yl)methyl]pyridin-4-amine?
N-[(5-propylfuran-2-yl)methyl]pyridin-4-amine has a molecular weight of 216.28 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-propylfuran-2-yl)methyl]pyridin-4-amine is sourced from PubChem (CID 122651131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).