furan-2,3-dicarboxylic acid;octane-1,1-diamine

C14H24N2O5 — CID 175955754

IUPACfuran-2,3-dicarboxylic acid;octane-1,1-diamine
SMILESCCCCCCCC(N)N.O=C(O)c1ccoc1C(=O)O
InChIInChI=1S/C8H20N2.C6H4O5/c1-2-3-4-5-6-7-8(9)10;7-5(8)3-1-2-11-4(3)6(9)10/h8H,2-7,9-10H2,1H3;1-2H,(H,7,8)(H,9,10)
InChIKeyGXFWBDHZCLSVAM-UHFFFAOYSA-N
MW300.35 g/mol
LogP2.27
Rot. Bonds8

About furan-2,3-dicarboxylic acid;octane-1,1-diamine

furan-2,3-dicarboxylic acid;octane-1,1-diamine (PubChem CID 175955754) has the molecular formula C14H24N2O5 and a molecular weight of 300.35 g/mol. Its IUPAC name is furan-2,3-dicarboxylic acid;octane-1,1-diamine.

Molecular Properties

Compound Namefuran-2,3-dicarboxylic acid;octane-1,1-diamine
PubChem CID175955754
Molecular FormulaC14H24N2O5
Molecular Weight300.35 g/mol
Exact Mass300.17
IUPAC Namefuran-2,3-dicarboxylic acid;octane-1,1-diamine
SMILESCCCCCCCC(N)N.O=C(O)c1ccoc1C(=O)O
InChIInChI=1S/C8H20N2.C6H4O5/c1-2-3-4-5-6-7-8(9)10;7-5(8)3-1-2-11-4(3)6(9)10/h8H,2-7,9-10H2,1H3;1-2H,(H,7,8)(H,9,10)
InChIKeyGXFWBDHZCLSVAM-UHFFFAOYSA-N
XLogP2.27
TPSA139.78 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 52.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

furan-2,3-dicarboxylic acid;2-octyldodecan-1-ol
CID 175572575
furan-2,3-dicarboxylic acid;6-octoxy-6-oxohexanoic acid
CID 174694025
3-octan-3-ylfuran-2-carboxylic acid
CID 175418427
3-tetradecan-5-yloxyfuran-2-carboxylic acid
CID 21218489
3-[(hexylamino)methyl]furan-2-carboxylic acid
CID 103251780
3-(heptoxymethyl)furan-2-carboxylic acid
CID 43153152
2-[(heptan-2-ylamino)methyl]furan-3-carboxylic acid
CID 103247314
hexacosane-1,1-diamine
CID 137375175
hexatriacontane-1,1-diamine
CID 21495844
2-butylfuran-3-carboxylic acid
CID 10678677
2-[butyl(2-hydroxyethyl)carbamoyl]furan-3-carboxylic acid
CID 114263481
3-(pentylsulfanylmethyl)furan-2-carboxylic acid
CID 107746142

Frequently Asked Questions

What is the IUPAC name of furan-2,3-dicarboxylic acid;octane-1,1-diamine?
The IUPAC name of furan-2,3-dicarboxylic acid;octane-1,1-diamine (CID 175955754) is furan-2,3-dicarboxylic acid;octane-1,1-diamine.
What is the SMILES notation for furan-2,3-dicarboxylic acid;octane-1,1-diamine?
The canonical SMILES for furan-2,3-dicarboxylic acid;octane-1,1-diamine is CCCCCCCC(N)N.O=C(O)c1ccoc1C(=O)O.
What is the InChIKey of furan-2,3-dicarboxylic acid;octane-1,1-diamine?
The InChIKey is GXFWBDHZCLSVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2.C6H4O5/c1-2-3-4-5-6-7-8(9)10;7-5(8)3-1-2-11-4(3)6(9)10/h8H,2-7,9-10H2,1H3;1-2H,(H,7,8)(H,9,10).
What are the key properties of furan-2,3-dicarboxylic acid;octane-1,1-diamine?
furan-2,3-dicarboxylic acid;octane-1,1-diamine has a molecular weight of 300.35 g/mol, XLogP of 2.27, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2,3-dicarboxylic acid;octane-1,1-diamine is sourced from PubChem (CID 175955754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).