1-[bis(2-methoxyethyl)amino]-3-butoxypropan-2-ol

C13H29NO4 — CID 107263774

IUPAC1-[bis(2-methoxyethyl)amino]-3-butoxypropan-2-ol
SMILESCCCCOCC(O)CN(CCOC)CCOC
InChIInChI=1S/C13H29NO4/c1-4-5-8-18-12-13(15)11-14(6-9-16-2)7-10-17-3/h13,15H,4-12H2,1-3H3
InChIKeyGWOJHOUTVUGNHP-UHFFFAOYSA-N
MW263.38 g/mol
LogP0.76
Rot. Bonds13

About 1-[bis(2-methoxyethyl)amino]-3-butoxypropan-2-ol

1-[bis(2-methoxyethyl)amino]-3-butoxypropan-2-ol (PubChem CID 107263774) has the molecular formula C13H29NO4 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[bis(2-methoxyethyl)amino]-3-butoxypropan-2-ol.

Molecular Properties

Compound Name1-[bis(2-methoxyethyl)amino]-3-butoxypropan-2-ol
PubChem CID107263774
Molecular FormulaC13H29NO4
Molecular Weight263.38 g/mol
Exact Mass263.21
IUPAC Name1-[bis(2-methoxyethyl)amino]-3-butoxypropan-2-ol
SMILESCCCCOCC(O)CN(CCOC)CCOC
InChIInChI=1S/C13H29NO4/c1-4-5-8-18-12-13(15)11-14(6-9-16-2)7-10-17-3/h13,15H,4-12H2,1-3H3
InChIKeyGWOJHOUTVUGNHP-UHFFFAOYSA-N
XLogP0.76
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methoxyethoxy)-3-[2-methoxyethyl(3-methoxypropyl)amino]propan-2-ol
CID 106991901
1-[bis(3-methylbutyl)amino]-3-butoxypropan-2-ol
CID 107870717
1-butoxy-3-[2-hydroxyethyl(propyl)amino]propan-2-ol
CID 107263779
(2R)-1-butoxy-3-methoxypropan-2-ol
CID 89035731
1-[6-[bis(3-dodecoxy-2-hydroxypropyl)amino]hexyl-(3-dodecoxy-2-hydroxypropyl)amino]-3-dodecoxypropan-2-ol
CID 170444415
1-butoxy-3-[2,2-difluoroethyl(2-hydroxyethyl)amino]propan-2-ol
CID 107483861
(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
2-[[(2R)-3-butoxy-2-hydroxypropyl]-(carboxymethyl)amino]acetic acid
CID 124630639
1-[bis(2-methoxyethyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106991830
3-[bis(2-methoxyethyl)amino]propane-1,2-diol
CID 78907099
1-(2-methoxyethoxy)-3-[methyl(pentyl)amino]propan-2-ol
CID 106991621

Frequently Asked Questions

What is the IUPAC name of 1-[bis(2-methoxyethyl)amino]-3-butoxypropan-2-ol?
The IUPAC name of 1-[bis(2-methoxyethyl)amino]-3-butoxypropan-2-ol (CID 107263774) is 1-[bis(2-methoxyethyl)amino]-3-butoxypropan-2-ol.
What is the SMILES notation for 1-[bis(2-methoxyethyl)amino]-3-butoxypropan-2-ol?
The canonical SMILES for 1-[bis(2-methoxyethyl)amino]-3-butoxypropan-2-ol is CCCCOCC(O)CN(CCOC)CCOC.
What is the InChIKey of 1-[bis(2-methoxyethyl)amino]-3-butoxypropan-2-ol?
The InChIKey is GWOJHOUTVUGNHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO4/c1-4-5-8-18-12-13(15)11-14(6-9-16-2)7-10-17-3/h13,15H,4-12H2,1-3H3.
What are the key properties of 1-[bis(2-methoxyethyl)amino]-3-butoxypropan-2-ol?
1-[bis(2-methoxyethyl)amino]-3-butoxypropan-2-ol has a molecular weight of 263.38 g/mol, XLogP of 0.76, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(2-methoxyethyl)amino]-3-butoxypropan-2-ol is sourced from PubChem (CID 107263774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).