2,5-dimethyl-2H-furan-5-amine

C6H11NO — CID 20719895

IUPAC2,5-dimethyl-2H-furan-5-amine
SMILESCC1C=CC(C)(N)O1
InChIInChI=1S/C6H11NO/c1-5-3-4-6(2,7)8-5/h3-5H,7H2,1-2H3
InChIKeyJFEYXVHJFBTABO-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.64
Rot. Bonds

About 2,5-dimethyl-2H-furan-5-amine

2,5-dimethyl-2H-furan-5-amine (PubChem CID 20719895) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 2,5-dimethyl-2H-furan-5-amine.

Molecular Properties

Compound Name2,5-dimethyl-2H-furan-5-amine
PubChem CID20719895
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name2,5-dimethyl-2H-furan-5-amine
SMILESCC1C=CC(C)(N)O1
InChIInChI=1S/C6H11NO/c1-5-3-4-6(2,7)8-5/h3-5H,7H2,1-2H3
InChIKeyJFEYXVHJFBTABO-UHFFFAOYSA-N
XLogP0.64
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.64
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 2,5-dimethyl-2H-furan-5-amine?
The IUPAC name of 2,5-dimethyl-2H-furan-5-amine (CID 20719895) is 2,5-dimethyl-2H-furan-5-amine.
What is the SMILES notation for 2,5-dimethyl-2H-furan-5-amine?
The canonical SMILES for 2,5-dimethyl-2H-furan-5-amine is CC1C=CC(C)(N)O1.
What is the InChIKey of 2,5-dimethyl-2H-furan-5-amine?
The InChIKey is JFEYXVHJFBTABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-5-3-4-6(2,7)8-5/h3-5H,7H2,1-2H3.
What are the key properties of 2,5-dimethyl-2H-furan-5-amine?
2,5-dimethyl-2H-furan-5-amine has a molecular weight of 113.16 g/mol, XLogP of 0.64, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-2H-furan-5-amine is sourced from PubChem (CID 20719895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).