(4,5-dimethylfuran-2-yl)methanamine

C7H11NO — CID 15563821

IUPAC(4,5-dimethylfuran-2-yl)methanamine
SMILESCc1cc(CN)oc1C
InChIInChI=1S/C7H11NO/c1-5-3-7(4-8)9-6(5)2/h3H,4,8H2,1-2H3
InChIKeyUCBATGNMXGXKRM-UHFFFAOYSA-N
MW125.17 g/mol
LogP1.36
Rot. Bonds1

About (4,5-dimethylfuran-2-yl)methanamine

(4,5-dimethylfuran-2-yl)methanamine (PubChem CID 15563821) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is (4,5-dimethylfuran-2-yl)methanamine.

Molecular Properties

Compound Name(4,5-dimethylfuran-2-yl)methanamine
PubChem CID15563821
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name(4,5-dimethylfuran-2-yl)methanamine
SMILESCc1cc(CN)oc1C
InChIInChI=1S/C7H11NO/c1-5-3-7(4-8)9-6(5)2/h3H,4,8H2,1-2H3
InChIKeyUCBATGNMXGXKRM-UHFFFAOYSA-N
XLogP1.36
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4,5-dimethylfuran-2-yl)methanamine?
The IUPAC name of (4,5-dimethylfuran-2-yl)methanamine (CID 15563821) is (4,5-dimethylfuran-2-yl)methanamine.
What is the SMILES notation for (4,5-dimethylfuran-2-yl)methanamine?
The canonical SMILES for (4,5-dimethylfuran-2-yl)methanamine is Cc1cc(CN)oc1C.
What is the InChIKey of (4,5-dimethylfuran-2-yl)methanamine?
The InChIKey is UCBATGNMXGXKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-5-3-7(4-8)9-6(5)2/h3H,4,8H2,1-2H3.
What are the key properties of (4,5-dimethylfuran-2-yl)methanamine?
(4,5-dimethylfuran-2-yl)methanamine has a molecular weight of 125.17 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dimethylfuran-2-yl)methanamine is sourced from PubChem (CID 15563821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).