3-(decylamino)propane-1,2-diol

C13H29NO2 — CID 12820574

IUPAC3-(decylamino)propane-1,2-diol
SMILESCCCCCCCCCCNCC(O)CO
InChIInChI=1S/C13H29NO2/c1-2-3-4-5-6-7-8-9-10-14-11-13(16)12-15/h13-16H,2-12H2,1H3
InChIKeyUIEJEXBQVZLMGC-UHFFFAOYSA-N
MW231.38 g/mol
LogP2.07
Rot. Bonds12

About 3-(decylamino)propane-1,2-diol

3-(decylamino)propane-1,2-diol (PubChem CID 12820574) has the molecular formula C13H29NO2 and a molecular weight of 231.38 g/mol. Its IUPAC name is 3-(decylamino)propane-1,2-diol.

Molecular Properties

Compound Name3-(decylamino)propane-1,2-diol
PubChem CID12820574
Molecular FormulaC13H29NO2
Molecular Weight231.38 g/mol
Exact Mass231.22
IUPAC Name3-(decylamino)propane-1,2-diol
SMILESCCCCCCCCCCNCC(O)CO
InChIInChI=1S/C13H29NO2/c1-2-3-4-5-6-7-8-9-10-14-11-13(16)12-15/h13-16H,2-12H2,1H3
InChIKeyUIEJEXBQVZLMGC-UHFFFAOYSA-N
XLogP2.07
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 52.07
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 3-(decylamino)propane-1,2-diol?
The IUPAC name of 3-(decylamino)propane-1,2-diol (CID 12820574) is 3-(decylamino)propane-1,2-diol.
What is the SMILES notation for 3-(decylamino)propane-1,2-diol?
The canonical SMILES for 3-(decylamino)propane-1,2-diol is CCCCCCCCCCNCC(O)CO.
What is the InChIKey of 3-(decylamino)propane-1,2-diol?
The InChIKey is UIEJEXBQVZLMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO2/c1-2-3-4-5-6-7-8-9-10-14-11-13(16)12-15/h13-16H,2-12H2,1H3.
What are the key properties of 3-(decylamino)propane-1,2-diol?
3-(decylamino)propane-1,2-diol has a molecular weight of 231.38 g/mol, XLogP of 2.07, 12 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(decylamino)propane-1,2-diol is sourced from PubChem (CID 12820574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).