6-aminodecane-1,5,6-triol

C10H23NO3 — CID 57038818

IUPAC6-aminodecane-1,5,6-triol
SMILESCCCCC(N)(O)C(O)CCCCO
InChIInChI=1S/C10H23NO3/c1-2-3-7-10(11,14)9(13)6-4-5-8-12/h9,12-14H,2-8,11H2,1H3
InChIKeyYSKOOTVMBNZALI-UHFFFAOYSA-N
MW205.30 g/mol
LogP0.35
Rot. Bonds8

About 6-aminodecane-1,5,6-triol

6-aminodecane-1,5,6-triol (PubChem CID 57038818) has the molecular formula C10H23NO3 and a molecular weight of 205.30 g/mol. Its IUPAC name is 6-aminodecane-1,5,6-triol.

Molecular Properties

Compound Name6-aminodecane-1,5,6-triol
PubChem CID57038818
Molecular FormulaC10H23NO3
Molecular Weight205.30 g/mol
Exact Mass205.17
IUPAC Name6-aminodecane-1,5,6-triol
SMILESCCCCC(N)(O)C(O)CCCCO
InChIInChI=1S/C10H23NO3/c1-2-3-7-10(11,14)9(13)6-4-5-8-12/h9,12-14H,2-8,11H2,1H3
InChIKeyYSKOOTVMBNZALI-UHFFFAOYSA-N
XLogP0.35
TPSA86.71 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 50.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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

3-aminohenicosane-3,4-diol
CID 87769820
16-methylheptadecane-1,15,16-triol
CID 90439756
13-methyltetradecane-1,12,13-triol
CID 90439785
3-aminoheptane-1,3-diol
CID 154296556
4,4-dibutyloctan-1-ol
CID 58892760
docosane-1,11-diol
CID 54487610
tetracosane-1,19-diol
CID 175364022
heptadecane-1,11-diol
CID 130297922
icosane-1,11-diol
CID 56976881
icosane-1,9-diol
CID 22758044
heptadecane-1,7-diol
CID 130297854
tridecane-1,5-diol
CID 15587437

Frequently Asked Questions

What is the IUPAC name of 6-aminodecane-1,5,6-triol?
The IUPAC name of 6-aminodecane-1,5,6-triol (CID 57038818) is 6-aminodecane-1,5,6-triol.
What is the SMILES notation for 6-aminodecane-1,5,6-triol?
The canonical SMILES for 6-aminodecane-1,5,6-triol is CCCCC(N)(O)C(O)CCCCO.
What is the InChIKey of 6-aminodecane-1,5,6-triol?
The InChIKey is YSKOOTVMBNZALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO3/c1-2-3-7-10(11,14)9(13)6-4-5-8-12/h9,12-14H,2-8,11H2,1H3.
What are the key properties of 6-aminodecane-1,5,6-triol?
6-aminodecane-1,5,6-triol has a molecular weight of 205.30 g/mol, XLogP of 0.35, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-aminodecane-1,5,6-triol is sourced from PubChem (CID 57038818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).