1-(furan-2-yl)butan-1-amine

C8H13NO — CID 13377567

IUPAC1-(furan-2-yl)butan-1-amine
SMILESCCCC(N)c1ccco1
InChIInChI=1S/C8H13NO/c1-2-4-7(9)8-5-3-6-10-8/h3,5-7H,2,4,9H2,1H3
InChIKeyUNNGDZIQTSGWFG-UHFFFAOYSA-N
MW139.20 g/mol
LogP2.08
Rot. Bonds3

About 1-(furan-2-yl)butan-1-amine

1-(furan-2-yl)butan-1-amine (PubChem CID 13377567) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 1-(furan-2-yl)butan-1-amine.

Molecular Properties

Compound Name1-(furan-2-yl)butan-1-amine
PubChem CID13377567
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name1-(furan-2-yl)butan-1-amine
SMILESCCCC(N)c1ccco1
InChIInChI=1S/C8H13NO/c1-2-4-7(9)8-5-3-6-10-8/h3,5-7H,2,4,9H2,1H3
InChIKeyUNNGDZIQTSGWFG-UHFFFAOYSA-N
XLogP2.08
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)butan-1-amine?
The IUPAC name of 1-(furan-2-yl)butan-1-amine (CID 13377567) is 1-(furan-2-yl)butan-1-amine.
What is the SMILES notation for 1-(furan-2-yl)butan-1-amine?
The canonical SMILES for 1-(furan-2-yl)butan-1-amine is CCCC(N)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)butan-1-amine?
The InChIKey is UNNGDZIQTSGWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-2-4-7(9)8-5-3-6-10-8/h3,5-7H,2,4,9H2,1H3.
What are the key properties of 1-(furan-2-yl)butan-1-amine?
1-(furan-2-yl)butan-1-amine has a molecular weight of 139.20 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)butan-1-amine is sourced from PubChem (CID 13377567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).