6-(2,5-dimethylfuran-3-yl)oxyhexan-1-amine

C12H21NO2 — CID 22237452

IUPAC6-(2,5-dimethylfuran-3-yl)oxyhexan-1-amine
SMILESCc1cc(OCCCCCCN)c(C)o1
InChIInChI=1S/C12H21NO2/c1-10-9-12(11(2)15-10)14-8-6-4-3-5-7-13/h9H,3-8,13H2,1-2H3
InChIKeyGJNLUEUJFOJQKD-UHFFFAOYSA-N
MW211.30 g/mol
LogP2.79
Rot. Bonds7

About 6-(2,5-dimethylfuran-3-yl)oxyhexan-1-amine

6-(2,5-dimethylfuran-3-yl)oxyhexan-1-amine (PubChem CID 22237452) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 6-(2,5-dimethylfuran-3-yl)oxyhexan-1-amine.

Molecular Properties

Compound Name6-(2,5-dimethylfuran-3-yl)oxyhexan-1-amine
PubChem CID22237452
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name6-(2,5-dimethylfuran-3-yl)oxyhexan-1-amine
SMILESCc1cc(OCCCCCCN)c(C)o1
InChIInChI=1S/C12H21NO2/c1-10-9-12(11(2)15-10)14-8-6-4-3-5-7-13/h9H,3-8,13H2,1-2H3
InChIKeyGJNLUEUJFOJQKD-UHFFFAOYSA-N
XLogP2.79
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethylfuran-3-yl)oxyhexan-1-amine?
The IUPAC name of 6-(2,5-dimethylfuran-3-yl)oxyhexan-1-amine (CID 22237452) is 6-(2,5-dimethylfuran-3-yl)oxyhexan-1-amine.
What is the SMILES notation for 6-(2,5-dimethylfuran-3-yl)oxyhexan-1-amine?
The canonical SMILES for 6-(2,5-dimethylfuran-3-yl)oxyhexan-1-amine is Cc1cc(OCCCCCCN)c(C)o1.
What is the InChIKey of 6-(2,5-dimethylfuran-3-yl)oxyhexan-1-amine?
The InChIKey is GJNLUEUJFOJQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-10-9-12(11(2)15-10)14-8-6-4-3-5-7-13/h9H,3-8,13H2,1-2H3.
What are the key properties of 6-(2,5-dimethylfuran-3-yl)oxyhexan-1-amine?
6-(2,5-dimethylfuran-3-yl)oxyhexan-1-amine has a molecular weight of 211.30 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethylfuran-3-yl)oxyhexan-1-amine is sourced from PubChem (CID 22237452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).