(4-methylfuran-3-yl)methanamine

C6H9NO — CID 82593543

IUPAC(4-methylfuran-3-yl)methanamine
SMILESCc1cocc1CN
InChIInChI=1S/C6H9NO/c1-5-3-8-4-6(5)2-7/h3-4H,2,7H2,1H3
InChIKeyMSDWYZHRRWKFIF-UHFFFAOYSA-N
MW111.14 g/mol
LogP1.05
Rot. Bonds1

About (4-methylfuran-3-yl)methanamine

(4-methylfuran-3-yl)methanamine (PubChem CID 82593543) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is (4-methylfuran-3-yl)methanamine.

Molecular Properties

Compound Name(4-methylfuran-3-yl)methanamine
PubChem CID82593543
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name(4-methylfuran-3-yl)methanamine
SMILESCc1cocc1CN
InChIInChI=1S/C6H9NO/c1-5-3-8-4-6(5)2-7/h3-4H,2,7H2,1H3
InChIKeyMSDWYZHRRWKFIF-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 (4-methylfuran-3-yl)methanamine?
The IUPAC name of (4-methylfuran-3-yl)methanamine (CID 82593543) is (4-methylfuran-3-yl)methanamine.
What is the SMILES notation for (4-methylfuran-3-yl)methanamine?
The canonical SMILES for (4-methylfuran-3-yl)methanamine is Cc1cocc1CN.
What is the InChIKey of (4-methylfuran-3-yl)methanamine?
The InChIKey is MSDWYZHRRWKFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO/c1-5-3-8-4-6(5)2-7/h3-4H,2,7H2,1H3.
What are the key properties of (4-methylfuran-3-yl)methanamine?
(4-methylfuran-3-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 (4-methylfuran-3-yl)methanamine is sourced from PubChem (CID 82593543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).