2-amino-2-tridecylpropane-1,3-diol

C16H35NO2 — CID 10849886

IUPAC2-amino-2-tridecylpropane-1,3-diol
SMILESCCCCCCCCCCCCCC(N)(CO)CO
InChIInChI=1S/C16H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(17,14-18)15-19/h18-19H,2-15,17H2,1H3
InChIKeySWBKJMMKEUACOR-UHFFFAOYSA-N
MW273.46 g/mol
LogP3.37
Rot. Bonds14

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

2-amino-2-tridecylpropane-1,3-diol (PubChem CID 10849886) has the molecular formula C16H35NO2 and a molecular weight of 273.46 g/mol. Its IUPAC name is 2-amino-2-tridecylpropane-1,3-diol.

Molecular Properties

Compound Name2-amino-2-tridecylpropane-1,3-diol
PubChem CID10849886
Molecular FormulaC16H35NO2
Molecular Weight273.46 g/mol
Exact Mass273.27
IUPAC Name2-amino-2-tridecylpropane-1,3-diol
SMILESCCCCCCCCCCCCCC(N)(CO)CO
InChIInChI=1S/C16H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(17,14-18)15-19/h18-19H,2-15,17H2,1H3
InChIKeySWBKJMMKEUACOR-UHFFFAOYSA-N
XLogP3.37
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.46
LogP ≤ 53.37
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-tridecylpropane-1,3-diol?
The IUPAC name of 2-amino-2-tridecylpropane-1,3-diol (CID 10849886) is 2-amino-2-tridecylpropane-1,3-diol.
What is the SMILES notation for 2-amino-2-tridecylpropane-1,3-diol?
The canonical SMILES for 2-amino-2-tridecylpropane-1,3-diol is CCCCCCCCCCCCCC(N)(CO)CO.
What is the InChIKey of 2-amino-2-tridecylpropane-1,3-diol?
The InChIKey is SWBKJMMKEUACOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(17,14-18)15-19/h18-19H,2-15,17H2,1H3.
What are the key properties of 2-amino-2-tridecylpropane-1,3-diol?
2-amino-2-tridecylpropane-1,3-diol has a molecular weight of 273.46 g/mol, XLogP of 3.37, 14 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-tridecylpropane-1,3-diol is sourced from PubChem (CID 10849886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).