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

C8H13NO — CID 2772029

IUPAC4-(furan-2-yl)butan-2-amine
SMILESCC(N)CCc1ccco1
InChIInChI=1S/C8H13NO/c1-7(9)4-5-8-3-2-6-10-8/h2-3,6-7H,4-5,9H2,1H3
InChIKeyFMXPHTQMUMXJKJ-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.56
Rot. Bonds3

About 4-(furan-2-yl)butan-2-amine

4-(furan-2-yl)butan-2-amine (PubChem CID 2772029) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 4-(furan-2-yl)butan-2-amine.

Molecular Properties

Compound Name4-(furan-2-yl)butan-2-amine
PubChem CID2772029
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name4-(furan-2-yl)butan-2-amine
SMILESCC(N)CCc1ccco1
InChIInChI=1S/C8H13NO/c1-7(9)4-5-8-3-2-6-10-8/h2-3,6-7H,4-5,9H2,1H3
InChIKeyFMXPHTQMUMXJKJ-UHFFFAOYSA-N
XLogP1.56
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 ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)butan-2-amine?
The IUPAC name of 4-(furan-2-yl)butan-2-amine (CID 2772029) is 4-(furan-2-yl)butan-2-amine.
What is the SMILES notation for 4-(furan-2-yl)butan-2-amine?
The canonical SMILES for 4-(furan-2-yl)butan-2-amine is CC(N)CCc1ccco1.
What is the InChIKey of 4-(furan-2-yl)butan-2-amine?
The InChIKey is FMXPHTQMUMXJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-7(9)4-5-8-3-2-6-10-8/h2-3,6-7H,4-5,9H2,1H3.
What are the key properties of 4-(furan-2-yl)butan-2-amine?
4-(furan-2-yl)butan-2-amine has a molecular weight of 139.20 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)butan-2-amine is sourced from PubChem (CID 2772029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).