2-amino-2-octylpropane-1,3-diol

C11H25NO2 — CID 10845836

IUPAC2-amino-2-octylpropane-1,3-diol
SMILESCCCCCCCCC(N)(CO)CO
InChIInChI=1S/C11H25NO2/c1-2-3-4-5-6-7-8-11(12,9-13)10-14/h13-14H,2-10,12H2,1H3
InChIKeyXLBSLUFAIWWGSL-UHFFFAOYSA-N
MW203.33 g/mol
LogP1.42
Rot. Bonds9

About 2-amino-2-octylpropane-1,3-diol

2-amino-2-octylpropane-1,3-diol (PubChem CID 10845836) has the molecular formula C11H25NO2 and a molecular weight of 203.33 g/mol. Its IUPAC name is 2-amino-2-octylpropane-1,3-diol.

Molecular Properties

Compound Name2-amino-2-octylpropane-1,3-diol
PubChem CID10845836
Molecular FormulaC11H25NO2
Molecular Weight203.33 g/mol
Exact Mass203.19
IUPAC Name2-amino-2-octylpropane-1,3-diol
SMILESCCCCCCCCC(N)(CO)CO
InChIInChI=1S/C11H25NO2/c1-2-3-4-5-6-7-8-11(12,9-13)10-14/h13-14H,2-10,12H2,1H3
InChIKeyXLBSLUFAIWWGSL-UHFFFAOYSA-N
XLogP1.42
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 51.42
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-amino-2-octylpropane-1,3-diol?
The IUPAC name of 2-amino-2-octylpropane-1,3-diol (CID 10845836) is 2-amino-2-octylpropane-1,3-diol.
What is the SMILES notation for 2-amino-2-octylpropane-1,3-diol?
The canonical SMILES for 2-amino-2-octylpropane-1,3-diol is CCCCCCCCC(N)(CO)CO.
What is the InChIKey of 2-amino-2-octylpropane-1,3-diol?
The InChIKey is XLBSLUFAIWWGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2/c1-2-3-4-5-6-7-8-11(12,9-13)10-14/h13-14H,2-10,12H2,1H3.
What are the key properties of 2-amino-2-octylpropane-1,3-diol?
2-amino-2-octylpropane-1,3-diol has a molecular weight of 203.33 g/mol, XLogP of 1.42, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-octylpropane-1,3-diol is sourced from PubChem (CID 10845836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).