(5-methyl-2H-furan-5-yl)methanamine

C6H11NO — CID 55285871

IUPAC(5-methyl-2H-furan-5-yl)methanamine
SMILESCC1(CN)C=CCO1
InChIInChI=1S/C6H11NO/c1-6(5-7)3-2-4-8-6/h2-3H,4-5,7H2,1H3
InChIKeyJPKJDLNVTNADMS-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.29
Rot. Bonds1

About (5-methyl-2H-furan-5-yl)methanamine

(5-methyl-2H-furan-5-yl)methanamine (PubChem CID 55285871) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is (5-methyl-2H-furan-5-yl)methanamine.

Molecular Properties

Compound Name(5-methyl-2H-furan-5-yl)methanamine
PubChem CID55285871
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name(5-methyl-2H-furan-5-yl)methanamine
SMILESCC1(CN)C=CCO1
InChIInChI=1S/C6H11NO/c1-6(5-7)3-2-4-8-6/h2-3H,4-5,7H2,1H3
InChIKeyJPKJDLNVTNADMS-UHFFFAOYSA-N
XLogP0.29
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-2H-furan-5-yl)methanamine?
The IUPAC name of (5-methyl-2H-furan-5-yl)methanamine (CID 55285871) is (5-methyl-2H-furan-5-yl)methanamine.
What is the SMILES notation for (5-methyl-2H-furan-5-yl)methanamine?
The canonical SMILES for (5-methyl-2H-furan-5-yl)methanamine is CC1(CN)C=CCO1.
What is the InChIKey of (5-methyl-2H-furan-5-yl)methanamine?
The InChIKey is JPKJDLNVTNADMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-6(5-7)3-2-4-8-6/h2-3H,4-5,7H2,1H3.
What are the key properties of (5-methyl-2H-furan-5-yl)methanamine?
(5-methyl-2H-furan-5-yl)methanamine has a molecular weight of 113.16 g/mol, XLogP of 0.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2H-furan-5-yl)methanamine is sourced from PubChem (CID 55285871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).