3-[[bis(3-hydroxypropoxymethyl)amino]methoxy]propan-1-ol

C12H27NO6 — CID 171055863

IUPAC3-[[bis(3-hydroxypropoxymethyl)amino]methoxy]propan-1-ol
SMILESOCCCOCN(COCCCO)COCCCO
InChIInChI=1S/C12H27NO6/c14-4-1-7-17-10-13(11-18-8-2-5-15)12-19-9-3-6-16/h14-16H,1-12H2
InChIKeyFFLBJBZXHXCTMS-UHFFFAOYSA-N
MW281.35 g/mol
LogP-0.64
Rot. Bonds15

About 3-[[bis(3-hydroxypropoxymethyl)amino]methoxy]propan-1-ol

3-[[bis(3-hydroxypropoxymethyl)amino]methoxy]propan-1-ol (PubChem CID 171055863) has the molecular formula C12H27NO6 and a molecular weight of 281.35 g/mol. Its IUPAC name is 3-[[bis(3-hydroxypropoxymethyl)amino]methoxy]propan-1-ol.

Molecular Properties

Compound Name3-[[bis(3-hydroxypropoxymethyl)amino]methoxy]propan-1-ol
PubChem CID171055863
Molecular FormulaC12H27NO6
Molecular Weight281.35 g/mol
Exact Mass281.18
IUPAC Name3-[[bis(3-hydroxypropoxymethyl)amino]methoxy]propan-1-ol
SMILESOCCCOCN(COCCCO)COCCCO
InChIInChI=1S/C12H27NO6/c14-4-1-7-17-10-13(11-18-8-2-5-15)12-19-9-3-6-16/h14-16H,1-12H2
InChIKeyFFLBJBZXHXCTMS-UHFFFAOYSA-N
XLogP-0.64
TPSA91.62 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 5-0.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

3-[3-[3-[3-(3-hydroxypropoxy)propoxy]propoxy]propoxy]propan-1-ol
CID 15061564
3-[3-[3-[3-[3-[3-[3-[3-[3-[6-[3-[3-[3-[3-[3-[3-[3-[3-[3-(3-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]hexoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 59025207
4-[6-(3-hydroxypropoxy)hexoxy]butan-1-ol
CID 90752305
3-(iodomethoxy)propan-1-ol
CID 89078157
ethane-1,2-diol;4-[4-(4-hydroxybutoxy)butoxy]butan-1-ol
CID 87472116
1-butoxybutane;3-butoxypropan-1-ol
CID 174728954
3-[3-(3-propoxypropoxy)propoxy]propan-1-ol
CID 4249185
3-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-1-ol
CID 91809447
4-(3-hydroxypropoxy)butyl acetate
CID 19879655
acetic acid;3-butoxypropan-1-ol
CID 71441465
3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-(2-methoxyethoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 155650334
3-[3-(3-hydroxypropoxy)-2-(3-hydroxypropoxymethyl)-2-methylpropoxy]propan-1-ol
CID 10517899

Frequently Asked Questions

What is the IUPAC name of 3-[[bis(3-hydroxypropoxymethyl)amino]methoxy]propan-1-ol?
The IUPAC name of 3-[[bis(3-hydroxypropoxymethyl)amino]methoxy]propan-1-ol (CID 171055863) is 3-[[bis(3-hydroxypropoxymethyl)amino]methoxy]propan-1-ol.
What is the SMILES notation for 3-[[bis(3-hydroxypropoxymethyl)amino]methoxy]propan-1-ol?
The canonical SMILES for 3-[[bis(3-hydroxypropoxymethyl)amino]methoxy]propan-1-ol is OCCCOCN(COCCCO)COCCCO.
What is the InChIKey of 3-[[bis(3-hydroxypropoxymethyl)amino]methoxy]propan-1-ol?
The InChIKey is FFLBJBZXHXCTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO6/c14-4-1-7-17-10-13(11-18-8-2-5-15)12-19-9-3-6-16/h14-16H,1-12H2.
What are the key properties of 3-[[bis(3-hydroxypropoxymethyl)amino]methoxy]propan-1-ol?
3-[[bis(3-hydroxypropoxymethyl)amino]methoxy]propan-1-ol has a molecular weight of 281.35 g/mol, XLogP of -0.64, 15 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[bis(3-hydroxypropoxymethyl)amino]methoxy]propan-1-ol is sourced from PubChem (CID 171055863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).