1-[bis(2-methoxyethyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol

C13H29NO5 — CID 106991830

IUPAC1-[bis(2-methoxyethyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
SMILESCOCCN(CCOC)CC(O)COC(C)COC
InChIInChI=1S/C13H29NO5/c1-12(10-18-4)19-11-13(15)9-14(5-7-16-2)6-8-17-3/h12-13,15H,5-11H2,1-4H3
InChIKeyAGOBPJYQBWLGGL-UHFFFAOYSA-N
MW279.38 g/mol
LogP-0.01
Rot. Bonds13

About 1-[bis(2-methoxyethyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol

1-[bis(2-methoxyethyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol (PubChem CID 106991830) has the molecular formula C13H29NO5 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-[bis(2-methoxyethyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol.

Molecular Properties

Compound Name1-[bis(2-methoxyethyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
PubChem CID106991830
Molecular FormulaC13H29NO5
Molecular Weight279.38 g/mol
Exact Mass279.20
IUPAC Name1-[bis(2-methoxyethyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
SMILESCOCCN(CCOC)CC(O)COC(C)COC
InChIInChI=1S/C13H29NO5/c1-12(10-18-4)19-11-13(15)9-14(5-7-16-2)6-8-17-3/h12-13,15H,5-11H2,1-4H3
InChIKeyAGOBPJYQBWLGGL-UHFFFAOYSA-N
XLogP-0.01
TPSA60.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-1-[bis(2-methoxyethyl)amino]-3-propan-2-yloxypropan-2-ol
CID 95357959
1-[bis(2-methoxyethyl)amino]-3-propan-2-yloxypropan-2-ol
CID 60635415
methyl 3-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-(2-methoxyethyl)amino]propanoate
CID 106992885
1-[2-methoxyethyl(methyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106991846
1-[2-methoxyethyl(3-methoxypropyl)amino]-3-propan-2-yloxypropan-2-ol
CID 61035306
1-methoxy-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 107508429
1-[ethyl(methyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106991712
3-[bis(2-methoxyethyl)amino]propane-1,2-diol
CID 78907099
1-[bis(2-methoxyethyl)amino]propan-2-ol
CID 59693413
1-(1-methoxypropan-2-yloxy)-3-[methyl(3-methylbutan-2-yl)amino]propan-2-ol
CID 106991752
1-[bis(2-methoxyethyl)amino]-3-butoxypropan-2-ol
CID 107263774
1-[2-[2-[2-hydroxy-3-[[2-hydroxy-3-[2-[2-[2-hydroxy-3-[3-methoxypropyl(methyl)amino]propoxy]propoxy]propoxy]propyl]-(3-methoxypropyl)amino]propoxy]propoxy]propoxy]-3-[3-methoxypropyl(methyl)amino]propan-2-ol
CID 58399699

Frequently Asked Questions

What is the IUPAC name of 1-[bis(2-methoxyethyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol?
The IUPAC name of 1-[bis(2-methoxyethyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol (CID 106991830) is 1-[bis(2-methoxyethyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol.
What is the SMILES notation for 1-[bis(2-methoxyethyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol?
The canonical SMILES for 1-[bis(2-methoxyethyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol is COCCN(CCOC)CC(O)COC(C)COC.
What is the InChIKey of 1-[bis(2-methoxyethyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol?
The InChIKey is AGOBPJYQBWLGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO5/c1-12(10-18-4)19-11-13(15)9-14(5-7-16-2)6-8-17-3/h12-13,15H,5-11H2,1-4H3.
What are the key properties of 1-[bis(2-methoxyethyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol?
1-[bis(2-methoxyethyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol has a molecular weight of 279.38 g/mol, XLogP of -0.01, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(2-methoxyethyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol is sourced from PubChem (CID 106991830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).