(5-methylfuran-2-yl)methanamine

C6H9NO — CID 2724683

IUPAC(5-methylfuran-2-yl)methanamine
SMILESCc1ccc(CN)o1
InChIInChI=1S/C6H9NO/c1-5-2-3-6(4-7)8-5/h2-3H,4,7H2,1H3
InChIKeyYSEAGSCGERFGBL-UHFFFAOYSA-N
MW111.14 g/mol
LogP1.05
Rot. Bonds1

About (5-methylfuran-2-yl)methanamine

(5-methylfuran-2-yl)methanamine (PubChem CID 2724683) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is (5-methylfuran-2-yl)methanamine.

Molecular Properties

Compound Name(5-methylfuran-2-yl)methanamine
PubChem CID2724683
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name(5-methylfuran-2-yl)methanamine
SMILESCc1ccc(CN)o1
InChIInChI=1S/C6H9NO/c1-5-2-3-6(4-7)8-5/h2-3H,4,7H2,1H3
InChIKeyYSEAGSCGERFGBL-UHFFFAOYSA-N
XLogP1.05
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-methylfuran-2-yl)methanamine?
The IUPAC name of (5-methylfuran-2-yl)methanamine (CID 2724683) is (5-methylfuran-2-yl)methanamine.
What is the SMILES notation for (5-methylfuran-2-yl)methanamine?
The canonical SMILES for (5-methylfuran-2-yl)methanamine is Cc1ccc(CN)o1.
What is the InChIKey of (5-methylfuran-2-yl)methanamine?
The InChIKey is YSEAGSCGERFGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO/c1-5-2-3-6(4-7)8-5/h2-3H,4,7H2,1H3.
What are the key properties of (5-methylfuran-2-yl)methanamine?
(5-methylfuran-2-yl)methanamine has a molecular weight of 111.14 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylfuran-2-yl)methanamine is sourced from PubChem (CID 2724683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).