2-N,4-N,3-trimethylfuran-2,4-diamine

C7H12N2O — CID 146299904

IUPAC2-N,4-N,3-trimethylfuran-2,4-diamine
SMILESCNc1coc(NC)c1C
InChIInChI=1S/C7H12N2O/c1-5-6(8-2)4-10-7(5)9-3/h4,8-9H,1-3H3
InChIKeyOCHSIVKLMMYBKD-UHFFFAOYSA-N
MW140.19 g/mol
LogP1.67
Rot. Bonds2

About 2-N,4-N,3-trimethylfuran-2,4-diamine

2-N,4-N,3-trimethylfuran-2,4-diamine (PubChem CID 146299904) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 2-N,4-N,3-trimethylfuran-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N,3-trimethylfuran-2,4-diamine
PubChem CID146299904
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name2-N,4-N,3-trimethylfuran-2,4-diamine
SMILESCNc1coc(NC)c1C
InChIInChI=1S/C7H12N2O/c1-5-6(8-2)4-10-7(5)9-3/h4,8-9H,1-3H3
InChIKeyOCHSIVKLMMYBKD-UHFFFAOYSA-N
XLogP1.67
TPSA37.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N,3-trimethylfuran-2,4-diamine?
The IUPAC name of 2-N,4-N,3-trimethylfuran-2,4-diamine (CID 146299904) is 2-N,4-N,3-trimethylfuran-2,4-diamine.
What is the SMILES notation for 2-N,4-N,3-trimethylfuran-2,4-diamine?
The canonical SMILES for 2-N,4-N,3-trimethylfuran-2,4-diamine is CNc1coc(NC)c1C.
What is the InChIKey of 2-N,4-N,3-trimethylfuran-2,4-diamine?
The InChIKey is OCHSIVKLMMYBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-5-6(8-2)4-10-7(5)9-3/h4,8-9H,1-3H3.
What are the key properties of 2-N,4-N,3-trimethylfuran-2,4-diamine?
2-N,4-N,3-trimethylfuran-2,4-diamine has a molecular weight of 140.19 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N,3-trimethylfuran-2,4-diamine is sourced from PubChem (CID 146299904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).