5-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]-2-methylpentan-1-ol

C13H29NO4 — CID 114151870

IUPAC5-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]-2-methylpentan-1-ol
SMILESCCOCCOCC(O)CNCCCC(C)CO
InChIInChI=1S/C13H29NO4/c1-3-17-7-8-18-11-13(16)9-14-6-4-5-12(2)10-15/h12-16H,3-11H2,1-2H3
InChIKeyHWWQURCEILDHHX-UHFFFAOYSA-N
MW263.38 g/mol
LogP0.40
Rot. Bonds13

About 5-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]-2-methylpentan-1-ol

5-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]-2-methylpentan-1-ol (PubChem CID 114151870) has the molecular formula C13H29NO4 and a molecular weight of 263.38 g/mol. Its IUPAC name is 5-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]-2-methylpentan-1-ol.

Molecular Properties

Compound Name5-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]-2-methylpentan-1-ol
PubChem CID114151870
Molecular FormulaC13H29NO4
Molecular Weight263.38 g/mol
Exact Mass263.21
IUPAC Name5-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]-2-methylpentan-1-ol
SMILESCCOCCOCC(O)CNCCCC(C)CO
InChIInChI=1S/C13H29NO4/c1-3-17-7-8-18-11-13(16)9-14-6-4-5-12(2)10-15/h12-16H,3-11H2,1-2H3
InChIKeyHWWQURCEILDHHX-UHFFFAOYSA-N
XLogP0.40
TPSA70.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 50.40
H-Bond Donors ≤ 53
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-ethoxyethoxy)-3-(pentylamino)propan-2-ol
CID 60632874
1-(2-aminoethylamino)-3-(2-ethoxyethoxy)propan-2-ol
CID 62141108
1-ethoxy-3-(4-methylpentylamino)propan-2-ol
CID 63933585
5-[(2-hydroxy-3-propan-2-yloxypropyl)amino]-2-methylpentan-1-ol
CID 106160001
1-(3-ethoxypropylamino)-3-octoxypropan-2-ol
CID 60634251
1-(2-ethoxyethoxy)-3-[(2-methyl-3-methylsulfanylpropyl)amino]propan-2-ol
CID 63965158
1-(2-ethoxyethoxy)-3-(hex-5-ynylamino)propan-2-ol
CID 106211324
1-ethoxy-3-(5-methylhexylamino)propan-2-ol
CID 115325282
4-[(3-ethoxy-2-hydroxypropyl)amino]butan-1-ol
CID 106841631
1-(2-ethoxyethoxy)-3-(2-methylsulfanylethylamino)propan-2-ol
CID 63965990
5-[(2-hydroxy-3-octoxypropyl)amino]pentan-2-ol
CID 106130441
1-ethoxy-3-(4-methoxybutylamino)propan-2-ol
CID 63933667

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]-2-methylpentan-1-ol?
The IUPAC name of 5-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]-2-methylpentan-1-ol (CID 114151870) is 5-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]-2-methylpentan-1-ol.
What is the SMILES notation for 5-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]-2-methylpentan-1-ol?
The canonical SMILES for 5-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]-2-methylpentan-1-ol is CCOCCOCC(O)CNCCCC(C)CO.
What is the InChIKey of 5-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]-2-methylpentan-1-ol?
The InChIKey is HWWQURCEILDHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO4/c1-3-17-7-8-18-11-13(16)9-14-6-4-5-12(2)10-15/h12-16H,3-11H2,1-2H3.
What are the key properties of 5-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]-2-methylpentan-1-ol?
5-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]-2-methylpentan-1-ol has a molecular weight of 263.38 g/mol, XLogP of 0.40, 13 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]-2-methylpentan-1-ol is sourced from PubChem (CID 114151870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).