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

C12H27NO2 — CID 66170994

IUPAC3-(nonylamino)propane-1,2-diol
SMILESCCCCCCCCCNCC(O)CO
InChIInChI=1S/C12H27NO2/c1-2-3-4-5-6-7-8-9-13-10-12(15)11-14/h12-15H,2-11H2,1H3
InChIKeyQCZQSNXGKVXFGS-UHFFFAOYSA-N
MW217.35 g/mol
LogP1.68
Rot. Bonds11

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

3-(nonylamino)propane-1,2-diol (PubChem CID 66170994) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is 3-(nonylamino)propane-1,2-diol.

Molecular Properties

Compound Name3-(nonylamino)propane-1,2-diol
PubChem CID66170994
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC Name3-(nonylamino)propane-1,2-diol
SMILESCCCCCCCCCNCC(O)CO
InChIInChI=1S/C12H27NO2/c1-2-3-4-5-6-7-8-9-13-10-12(15)11-14/h12-15H,2-11H2,1H3
InChIKeyQCZQSNXGKVXFGS-UHFFFAOYSA-N
XLogP1.68
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.35
LogP ≤ 51.68
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-(nonylamino)propane-1,2-diol?
The IUPAC name of 3-(nonylamino)propane-1,2-diol (CID 66170994) is 3-(nonylamino)propane-1,2-diol.
What is the SMILES notation for 3-(nonylamino)propane-1,2-diol?
The canonical SMILES for 3-(nonylamino)propane-1,2-diol is CCCCCCCCCNCC(O)CO.
What is the InChIKey of 3-(nonylamino)propane-1,2-diol?
The InChIKey is QCZQSNXGKVXFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2/c1-2-3-4-5-6-7-8-9-13-10-12(15)11-14/h12-15H,2-11H2,1H3.
What are the key properties of 3-(nonylamino)propane-1,2-diol?
3-(nonylamino)propane-1,2-diol has a molecular weight of 217.35 g/mol, XLogP of 1.68, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(nonylamino)propane-1,2-diol is sourced from PubChem (CID 66170994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).