2-[(5-pyridin-3-ylfuran-2-yl)methylidene]butan-1-amine

C14H16N2O — CID 79322193

IUPAC2-[(5-pyridin-3-ylfuran-2-yl)methylidene]butan-1-amine
SMILESCCC(=Cc1ccc(-c2cccnc2)o1)CN
InChIInChI=1S/C14H16N2O/c1-2-11(9-15)8-13-5-6-14(17-13)12-4-3-7-16-10-12/h3-8,10H,2,9,15H2,1H3
InChIKeyJZFHGDQJMVBVRK-UHFFFAOYSA-N
MW228.30 g/mol
LogP3.09
Rot. Bonds4

About 2-[(5-pyridin-3-ylfuran-2-yl)methylidene]butan-1-amine

2-[(5-pyridin-3-ylfuran-2-yl)methylidene]butan-1-amine (PubChem CID 79322193) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 2-[(5-pyridin-3-ylfuran-2-yl)methylidene]butan-1-amine.

Molecular Properties

Compound Name2-[(5-pyridin-3-ylfuran-2-yl)methylidene]butan-1-amine
PubChem CID79322193
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name2-[(5-pyridin-3-ylfuran-2-yl)methylidene]butan-1-amine
SMILESCCC(=Cc1ccc(-c2cccnc2)o1)CN
InChIInChI=1S/C14H16N2O/c1-2-11(9-15)8-13-5-6-14(17-13)12-4-3-7-16-10-12/h3-8,10H,2,9,15H2,1H3
InChIKeyJZFHGDQJMVBVRK-UHFFFAOYSA-N
XLogP3.09
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-pyridin-3-ylfuran-2-yl)methylidene]butan-1-amine?
The IUPAC name of 2-[(5-pyridin-3-ylfuran-2-yl)methylidene]butan-1-amine (CID 79322193) is 2-[(5-pyridin-3-ylfuran-2-yl)methylidene]butan-1-amine.
What is the SMILES notation for 2-[(5-pyridin-3-ylfuran-2-yl)methylidene]butan-1-amine?
The canonical SMILES for 2-[(5-pyridin-3-ylfuran-2-yl)methylidene]butan-1-amine is CCC(=Cc1ccc(-c2cccnc2)o1)CN.
What is the InChIKey of 2-[(5-pyridin-3-ylfuran-2-yl)methylidene]butan-1-amine?
The InChIKey is JZFHGDQJMVBVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-2-11(9-15)8-13-5-6-14(17-13)12-4-3-7-16-10-12/h3-8,10H,2,9,15H2,1H3.
What are the key properties of 2-[(5-pyridin-3-ylfuran-2-yl)methylidene]butan-1-amine?
2-[(5-pyridin-3-ylfuran-2-yl)methylidene]butan-1-amine has a molecular weight of 228.30 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-pyridin-3-ylfuran-2-yl)methylidene]butan-1-amine is sourced from PubChem (CID 79322193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).