2-aminotetradecane-1,1,1-triol;hydrochloride

C14H32ClNO3 — CID 173374049

IUPAC2-aminotetradecane-1,1,1-triol;hydrochloride
SMILESCCCCCCCCCCCCC(N)C(O)(O)O.Cl
InChIInChI=1S/C14H31NO3.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13(15)14(16,17)18;/h13,16-18H,2-12,15H2,1H3;1H
InChIKeyXEJSLQFQNICMLD-UHFFFAOYSA-N
MW297.87 g/mol
LogP2.68
Rot. Bonds12

About 2-aminotetradecane-1,1,1-triol;hydrochloride

2-aminotetradecane-1,1,1-triol;hydrochloride (PubChem CID 173374049) has the molecular formula C14H32ClNO3 and a molecular weight of 297.87 g/mol. Its IUPAC name is 2-aminotetradecane-1,1,1-triol;hydrochloride.

Molecular Properties

Compound Name2-aminotetradecane-1,1,1-triol;hydrochloride
PubChem CID173374049
Molecular FormulaC14H32ClNO3
Molecular Weight297.87 g/mol
Exact Mass297.21
IUPAC Name2-aminotetradecane-1,1,1-triol;hydrochloride
SMILESCCCCCCCCCCCCC(N)C(O)(O)O.Cl
InChIInChI=1S/C14H31NO3.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13(15)14(16,17)18;/h13,16-18H,2-12,15H2,1H3;1H
InChIKeyXEJSLQFQNICMLD-UHFFFAOYSA-N
XLogP2.68
TPSA86.71 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.87
LogP ≤ 52.68
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

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CID 87934186
(3S)-2,2-dimethyloctan-3-amine
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Frequently Asked Questions

What is the IUPAC name of 2-aminotetradecane-1,1,1-triol;hydrochloride?
The IUPAC name of 2-aminotetradecane-1,1,1-triol;hydrochloride (CID 173374049) is 2-aminotetradecane-1,1,1-triol;hydrochloride.
What is the SMILES notation for 2-aminotetradecane-1,1,1-triol;hydrochloride?
The canonical SMILES for 2-aminotetradecane-1,1,1-triol;hydrochloride is CCCCCCCCCCCCC(N)C(O)(O)O.Cl.
What is the InChIKey of 2-aminotetradecane-1,1,1-triol;hydrochloride?
The InChIKey is XEJSLQFQNICMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO3.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13(15)14(16,17)18;/h13,16-18H,2-12,15H2,1H3;1H.
What are the key properties of 2-aminotetradecane-1,1,1-triol;hydrochloride?
2-aminotetradecane-1,1,1-triol;hydrochloride has a molecular weight of 297.87 g/mol, XLogP of 2.68, 12 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminotetradecane-1,1,1-triol;hydrochloride is sourced from PubChem (CID 173374049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).