6-aminohexane-1,2,5-triol

C6H15NO3 — CID 19694623

IUPAC6-aminohexane-1,2,5-triol
SMILESNCC(O)CCC(O)CO
InChIInChI=1S/C6H15NO3/c7-3-5(9)1-2-6(10)4-8/h5-6,8-10H,1-4,7H2
InChIKeyXTRNQTHHJUKGKO-UHFFFAOYSA-N
MW149.19 g/mol
LogP-1.56
Rot. Bonds5

About 6-aminohexane-1,2,5-triol

6-aminohexane-1,2,5-triol (PubChem CID 19694623) has the molecular formula C6H15NO3 and a molecular weight of 149.19 g/mol. Its IUPAC name is 6-aminohexane-1,2,5-triol.

Molecular Properties

Compound Name6-aminohexane-1,2,5-triol
PubChem CID19694623
Molecular FormulaC6H15NO3
Molecular Weight149.19 g/mol
Exact Mass149.11
IUPAC Name6-aminohexane-1,2,5-triol
SMILESNCC(O)CCC(O)CO
InChIInChI=1S/C6H15NO3/c7-3-5(9)1-2-6(10)4-8/h5-6,8-10H,1-4,7H2
InChIKeyXTRNQTHHJUKGKO-UHFFFAOYSA-N
XLogP-1.56
TPSA86.71 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 5-1.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-aminohexane-1,2,5-triol?
The IUPAC name of 6-aminohexane-1,2,5-triol (CID 19694623) is 6-aminohexane-1,2,5-triol.
What is the SMILES notation for 6-aminohexane-1,2,5-triol?
The canonical SMILES for 6-aminohexane-1,2,5-triol is NCC(O)CCC(O)CO.
What is the InChIKey of 6-aminohexane-1,2,5-triol?
The InChIKey is XTRNQTHHJUKGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO3/c7-3-5(9)1-2-6(10)4-8/h5-6,8-10H,1-4,7H2.
What are the key properties of 6-aminohexane-1,2,5-triol?
6-aminohexane-1,2,5-triol has a molecular weight of 149.19 g/mol, XLogP of -1.56, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-aminohexane-1,2,5-triol is sourced from PubChem (CID 19694623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).