4-[2-(diethylamino)ethoxy]-4-ethyl-2-methyl-2-pentan-3-yloxyhexan-1-ol

C20H43NO3 — CID 91276899

IUPAC4-[2-(diethylamino)ethoxy]-4-ethyl-2-methyl-2-pentan-3-yloxyhexan-1-ol
SMILESCCC(CC)OC(C)(CO)CC(CC)(CC)OCCN(CC)CC
InChIInChI=1S/C20H43NO3/c1-8-18(9-2)24-19(7,17-22)16-20(10-3,11-4)23-15-14-21(12-5)13-6/h18,22H,8-17H2,1-7H3
InChIKeyUZSIWPCOLGHEDT-UHFFFAOYSA-N
MW345.57 g/mol
LogP4.25
Rot. Bonds15

About 4-[2-(diethylamino)ethoxy]-4-ethyl-2-methyl-2-pentan-3-yloxyhexan-1-ol

4-[2-(diethylamino)ethoxy]-4-ethyl-2-methyl-2-pentan-3-yloxyhexan-1-ol (PubChem CID 91276899) has the molecular formula C20H43NO3 and a molecular weight of 345.57 g/mol. Its IUPAC name is 4-[2-(diethylamino)ethoxy]-4-ethyl-2-methyl-2-pentan-3-yloxyhexan-1-ol.

Molecular Properties

Compound Name4-[2-(diethylamino)ethoxy]-4-ethyl-2-methyl-2-pentan-3-yloxyhexan-1-ol
PubChem CID91276899
Molecular FormulaC20H43NO3
Molecular Weight345.57 g/mol
Exact Mass345.32
IUPAC Name4-[2-(diethylamino)ethoxy]-4-ethyl-2-methyl-2-pentan-3-yloxyhexan-1-ol
SMILESCCC(CC)OC(C)(CO)CC(CC)(CC)OCCN(CC)CC
InChIInChI=1S/C20H43NO3/c1-8-18(9-2)24-19(7,17-22)16-20(10-3,11-4)23-15-14-21(12-5)13-6/h18,22H,8-17H2,1-7H3
InChIKeyUZSIWPCOLGHEDT-UHFFFAOYSA-N
XLogP4.25
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.57
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-2-(3-ethyl-6-methoxy-5-pentan-3-yloxyhexan-3-yl)oxyethanamine
CID 90880172
2-(3,3-dimethylpent-1-en-2-yloxy)-N,N-diethylethanamine
CID 18717519
2-(1-hydroxybutan-2-yloxy)-2-methoxypropane-1,3-diol;2-[3-(hydroxymethyl)pentan-3-yloxy]propane-1,3-diol
CID 160824573
1-N,1-N-diethyl-3-N-methylpentane-1,3-diamine
CID 79087133
N-[2-[2-(diethylamino)ethoxy]propyl]-2-methylpropan-2-amine
CID 62460409
N',N'-diethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethane-1,2-diamine
CID 62599740
2-(3,3-dimethylbutoxy)-2-methylbutan-1-ol
CID 90988843
N,N-diethyl-2-(methylaminooxy)ethanamine
CID 143582118
(3,5-dimethyl-5-pentan-3-yloxyheptan-3-yl)-oxo-propan-2-ylphosphanium
CID 146254097
2-[[ethyl(2-methoxyethyl)amino]methyl]-2-methylbutanoic acid
CID 62271797
2-(diethylamino)ethyl 2-iodo-2-methylpropanoate
CID 162508851
1-(diethylamino)pentan-3-yl 2-methylprop-2-enoate
CID 150692893

Frequently Asked Questions

What is the IUPAC name of 4-[2-(diethylamino)ethoxy]-4-ethyl-2-methyl-2-pentan-3-yloxyhexan-1-ol?
The IUPAC name of 4-[2-(diethylamino)ethoxy]-4-ethyl-2-methyl-2-pentan-3-yloxyhexan-1-ol (CID 91276899) is 4-[2-(diethylamino)ethoxy]-4-ethyl-2-methyl-2-pentan-3-yloxyhexan-1-ol.
What is the SMILES notation for 4-[2-(diethylamino)ethoxy]-4-ethyl-2-methyl-2-pentan-3-yloxyhexan-1-ol?
The canonical SMILES for 4-[2-(diethylamino)ethoxy]-4-ethyl-2-methyl-2-pentan-3-yloxyhexan-1-ol is CCC(CC)OC(C)(CO)CC(CC)(CC)OCCN(CC)CC.
What is the InChIKey of 4-[2-(diethylamino)ethoxy]-4-ethyl-2-methyl-2-pentan-3-yloxyhexan-1-ol?
The InChIKey is UZSIWPCOLGHEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H43NO3/c1-8-18(9-2)24-19(7,17-22)16-20(10-3,11-4)23-15-14-21(12-5)13-6/h18,22H,8-17H2,1-7H3.
What are the key properties of 4-[2-(diethylamino)ethoxy]-4-ethyl-2-methyl-2-pentan-3-yloxyhexan-1-ol?
4-[2-(diethylamino)ethoxy]-4-ethyl-2-methyl-2-pentan-3-yloxyhexan-1-ol has a molecular weight of 345.57 g/mol, XLogP of 4.25, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(diethylamino)ethoxy]-4-ethyl-2-methyl-2-pentan-3-yloxyhexan-1-ol is sourced from PubChem (CID 91276899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).