1-(2,3-dimethoxypropylamino)-3-(2-ethoxyethoxy)propan-2-ol

C12H27NO5 — CID 114099796

IUPAC1-(2,3-dimethoxypropylamino)-3-(2-ethoxyethoxy)propan-2-ol
SMILESCCOCCOCC(O)CNCC(COC)OC
InChIInChI=1S/C12H27NO5/c1-4-17-5-6-18-9-11(14)7-13-8-12(16-3)10-15-2/h11-14H,4-10H2,1-3H3
InChIKeyUVHUAXVFOUGJCP-UHFFFAOYSA-N
MW265.35 g/mol
LogP-0.35
Rot. Bonds13

About 1-(2,3-dimethoxypropylamino)-3-(2-ethoxyethoxy)propan-2-ol

1-(2,3-dimethoxypropylamino)-3-(2-ethoxyethoxy)propan-2-ol (PubChem CID 114099796) has the molecular formula C12H27NO5 and a molecular weight of 265.35 g/mol. Its IUPAC name is 1-(2,3-dimethoxypropylamino)-3-(2-ethoxyethoxy)propan-2-ol.

Molecular Properties

Compound Name1-(2,3-dimethoxypropylamino)-3-(2-ethoxyethoxy)propan-2-ol
PubChem CID114099796
Molecular FormulaC12H27NO5
Molecular Weight265.35 g/mol
Exact Mass265.19
IUPAC Name1-(2,3-dimethoxypropylamino)-3-(2-ethoxyethoxy)propan-2-ol
SMILESCCOCCOCC(O)CNCC(COC)OC
InChIInChI=1S/C12H27NO5/c1-4-17-5-6-18-9-11(14)7-13-8-12(16-3)10-15-2/h11-14H,4-10H2,1-3H3
InChIKeyUVHUAXVFOUGJCP-UHFFFAOYSA-N
XLogP-0.35
TPSA69.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-ethoxy-3-[(3-ethoxy-2-hydroxypropyl)amino]propan-2-ol
CID 139812156
3-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]-2-hydroxypropanamide
CID 106174317
1-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]butan-2-ol
CID 106990539
1-(2-ethoxyethoxy)-3-[(1-hydroxy-3-methoxypropan-2-yl)amino]propan-2-ol
CID 114156052
1-(2-aminoethylamino)-3-(2-ethoxyethoxy)propan-2-ol
CID 62141108
1-(2-ethoxyethoxy)-3-[(2-methyl-3-methylsulfanylpropyl)amino]propan-2-ol
CID 63965158
1-(2-cyclopropylpropylamino)-3-(2-ethoxyethoxy)propan-2-ol
CID 113226892
1-(2-ethoxyethoxy)-3-(pentylamino)propan-2-ol
CID 60632874
3-[[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]methyl]cyclobutan-1-ol
CID 66005279
methyl 3-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]propanoate
CID 54935728
1-(2-ethoxyethoxy)-3-[2-[2-methoxyethyl(methyl)amino]ethylamino]propan-2-ol
CID 62844325
1-(2-ethoxyethoxy)-3-(2-methylsulfanylethylamino)propan-2-ol
CID 63965990

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethoxypropylamino)-3-(2-ethoxyethoxy)propan-2-ol?
The IUPAC name of 1-(2,3-dimethoxypropylamino)-3-(2-ethoxyethoxy)propan-2-ol (CID 114099796) is 1-(2,3-dimethoxypropylamino)-3-(2-ethoxyethoxy)propan-2-ol.
What is the SMILES notation for 1-(2,3-dimethoxypropylamino)-3-(2-ethoxyethoxy)propan-2-ol?
The canonical SMILES for 1-(2,3-dimethoxypropylamino)-3-(2-ethoxyethoxy)propan-2-ol is CCOCCOCC(O)CNCC(COC)OC.
What is the InChIKey of 1-(2,3-dimethoxypropylamino)-3-(2-ethoxyethoxy)propan-2-ol?
The InChIKey is UVHUAXVFOUGJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO5/c1-4-17-5-6-18-9-11(14)7-13-8-12(16-3)10-15-2/h11-14H,4-10H2,1-3H3.
What are the key properties of 1-(2,3-dimethoxypropylamino)-3-(2-ethoxyethoxy)propan-2-ol?
1-(2,3-dimethoxypropylamino)-3-(2-ethoxyethoxy)propan-2-ol has a molecular weight of 265.35 g/mol, XLogP of -0.35, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethoxypropylamino)-3-(2-ethoxyethoxy)propan-2-ol is sourced from PubChem (CID 114099796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).