3-[[[3-(2-butoxyethoxy)-2-hydroxypropyl]amino]methyl]oxolan-3-ol

C14H29NO5 — CID 106100411

IUPAC3-[[[3-(2-butoxyethoxy)-2-hydroxypropyl]amino]methyl]oxolan-3-ol
SMILESCCCCOCCOCC(O)CNCC1(O)CCOC1
InChIInChI=1S/C14H29NO5/c1-2-3-5-18-7-8-19-10-13(16)9-15-11-14(17)4-6-20-12-14/h13,15-17H,2-12H2,1H3
InChIKeySLPRSWPKONGDED-UHFFFAOYSA-N
MW291.39 g/mol
LogP-0.08
Rot. Bonds12

About 3-[[[3-(2-butoxyethoxy)-2-hydroxypropyl]amino]methyl]oxolan-3-ol

3-[[[3-(2-butoxyethoxy)-2-hydroxypropyl]amino]methyl]oxolan-3-ol (PubChem CID 106100411) has the molecular formula C14H29NO5 and a molecular weight of 291.39 g/mol. Its IUPAC name is 3-[[[3-(2-butoxyethoxy)-2-hydroxypropyl]amino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[[[3-(2-butoxyethoxy)-2-hydroxypropyl]amino]methyl]oxolan-3-ol
PubChem CID106100411
Molecular FormulaC14H29NO5
Molecular Weight291.39 g/mol
Exact Mass291.20
IUPAC Name3-[[[3-(2-butoxyethoxy)-2-hydroxypropyl]amino]methyl]oxolan-3-ol
SMILESCCCCOCCOCC(O)CNCC1(O)CCOC1
InChIInChI=1S/C14H29NO5/c1-2-3-5-18-7-8-19-10-13(16)9-15-11-14(17)4-6-20-12-14/h13,15-17H,2-12H2,1H3
InChIKeySLPRSWPKONGDED-UHFFFAOYSA-N
XLogP-0.08
TPSA80.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[[(3-cyclopentyloxy-2-hydroxypropyl)amino]methyl]oxolan-3-ol
CID 106100527
3-[[[3-(2-ethylcyclohexyl)oxy-2-hydroxypropyl]amino]methyl]oxolan-3-ol
CID 106100762
4-[(2-butoxyethylamino)methyl]oxan-4-ol
CID 81131048
1-butoxy-3-[[1-(dimethylamino)cyclobutyl]methylamino]propan-2-ol
CID 107263150
1-(2-butoxyethoxy)-3-(2-butoxyethylamino)propan-2-ol
CID 61171086
3-[[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]methyl]oxolan-3-ol
CID 106100759
1-[[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]methyl]cycloheptan-1-ol
CID 65123306
3-[[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]methyl]oxolan-3-ol
CID 106100524
1-(2-butoxyethoxy)-3-[(2,2,3,3-tetramethylcyclopropyl)methylamino]propan-2-ol
CID 79352097
1-[[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]methyl]cyclopentan-1-ol
CID 106990051
1-[[[2-hydroxy-3-(4-methylpentoxy)propyl]amino]methyl]cycloheptan-1-ol
CID 65122363
3-[[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]methyl]oxolan-3-ol
CID 106100735

Frequently Asked Questions

What is the IUPAC name of 3-[[[3-(2-butoxyethoxy)-2-hydroxypropyl]amino]methyl]oxolan-3-ol?
The IUPAC name of 3-[[[3-(2-butoxyethoxy)-2-hydroxypropyl]amino]methyl]oxolan-3-ol (CID 106100411) is 3-[[[3-(2-butoxyethoxy)-2-hydroxypropyl]amino]methyl]oxolan-3-ol.
What is the SMILES notation for 3-[[[3-(2-butoxyethoxy)-2-hydroxypropyl]amino]methyl]oxolan-3-ol?
The canonical SMILES for 3-[[[3-(2-butoxyethoxy)-2-hydroxypropyl]amino]methyl]oxolan-3-ol is CCCCOCCOCC(O)CNCC1(O)CCOC1.
What is the InChIKey of 3-[[[3-(2-butoxyethoxy)-2-hydroxypropyl]amino]methyl]oxolan-3-ol?
The InChIKey is SLPRSWPKONGDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO5/c1-2-3-5-18-7-8-19-10-13(16)9-15-11-14(17)4-6-20-12-14/h13,15-17H,2-12H2,1H3.
What are the key properties of 3-[[[3-(2-butoxyethoxy)-2-hydroxypropyl]amino]methyl]oxolan-3-ol?
3-[[[3-(2-butoxyethoxy)-2-hydroxypropyl]amino]methyl]oxolan-3-ol has a molecular weight of 291.39 g/mol, XLogP of -0.08, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[3-(2-butoxyethoxy)-2-hydroxypropyl]amino]methyl]oxolan-3-ol is sourced from PubChem (CID 106100411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).