2,6-diaminohexanoic acid

C6H14N2O2 — CID 866

IUPAC2,6-diaminohexanoic acid
SMILESNCCCCC(N)C(=O)O
InChIInChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)
InChIKeyKDXKERNSBIXSRK-UHFFFAOYSA-N
MW146.19 g/mol
LogP-0.47
Rot. Bonds5

About 2,6-diaminohexanoic acid

2,6-diaminohexanoic acid (PubChem CID 866) has the molecular formula C6H14N2O2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 2,6-diaminohexanoic acid.

Molecular Properties

Compound Name2,6-diaminohexanoic acid
PubChem CID866
Molecular FormulaC6H14N2O2
Molecular Weight146.19 g/mol
Exact Mass146.11
IUPAC Name2,6-diaminohexanoic acid
SMILESNCCCCC(N)C(=O)O
InChIInChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)
InChIKeyKDXKERNSBIXSRK-UHFFFAOYSA-N
XLogP-0.47
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
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 2,6-diaminohexanoic acid?
The IUPAC name of 2,6-diaminohexanoic acid (CID 866) is 2,6-diaminohexanoic acid.
What is the SMILES notation for 2,6-diaminohexanoic acid?
The canonical SMILES for 2,6-diaminohexanoic acid is NCCCCC(N)C(=O)O.
What is the InChIKey of 2,6-diaminohexanoic acid?
The InChIKey is KDXKERNSBIXSRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10).
What are the key properties of 2,6-diaminohexanoic acid?
2,6-diaminohexanoic acid has a molecular weight of 146.19 g/mol, XLogP of -0.47, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diaminohexanoic acid is sourced from PubChem (CID 866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).