1-[2-[2-[2-[[(2R)-3-methylbutan-2-yl]amino]ethoxy]ethoxy]ethoxy]-3-propan-2-yloxypropan-2-ol

C17H37NO5 — CID 146526522

IUPAC1-[2-[2-[2-[[(2R)-3-methylbutan-2-yl]amino]ethoxy]ethoxy]ethoxy]-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OCC(O)COCCOCCOCCN[C@H](C)C(C)C
InChIInChI=1S/C17H37NO5/c1-14(2)16(5)18-6-7-20-8-9-21-10-11-22-12-17(19)13-23-15(3)4/h14-19H,6-13H2,1-5H3/t16-,17?/m1/s1
InChIKeyFJJLPTHAIVWWDA-TZHYSIJRSA-N
MW335.49 g/mol
LogP1.46
Rot. Bonds16

About 1-[2-[2-[2-[[(2R)-3-methylbutan-2-yl]amino]ethoxy]ethoxy]ethoxy]-3-propan-2-yloxypropan-2-ol

1-[2-[2-[2-[[(2R)-3-methylbutan-2-yl]amino]ethoxy]ethoxy]ethoxy]-3-propan-2-yloxypropan-2-ol (PubChem CID 146526522) has the molecular formula C17H37NO5 and a molecular weight of 335.49 g/mol. Its IUPAC name is 1-[2-[2-[2-[[(2R)-3-methylbutan-2-yl]amino]ethoxy]ethoxy]ethoxy]-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-[2-[2-[2-[[(2R)-3-methylbutan-2-yl]amino]ethoxy]ethoxy]ethoxy]-3-propan-2-yloxypropan-2-ol
PubChem CID146526522
Molecular FormulaC17H37NO5
Molecular Weight335.49 g/mol
Exact Mass335.27
IUPAC Name1-[2-[2-[2-[[(2R)-3-methylbutan-2-yl]amino]ethoxy]ethoxy]ethoxy]-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OCC(O)COCCOCCOCCN[C@H](C)C(C)C
InChIInChI=1S/C17H37NO5/c1-14(2)16(5)18-6-7-20-8-9-21-10-11-22-12-17(19)13-23-15(3)4/h14-19H,6-13H2,1-5H3/t16-,17?/m1/s1
InChIKeyFJJLPTHAIVWWDA-TZHYSIJRSA-N
XLogP1.46
TPSA69.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]-3-propan-2-yloxypropan-2-ol
CID 135173496
1-propan-2-yloxy-3-[2-(propylamino)ethoxy]propan-2-ol
CID 106939588
N-[2-(2-butoxyethoxy)ethyl]-3-methylbutan-2-amine
CID 62598326
(2S)-3-methyl-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]butan-2-amine
CID 135174904
(2R)-1-[[(2R)-2-hydroxy-3-propan-2-yloxypropyl]amino]-3-propan-2-yloxypropan-2-ol
CID 38999921
1-(ethoxyamino)-3-(2-propan-2-yloxyethoxy)propan-2-ol
CID 60702644
(2R)-1-fluoro-3-propan-2-yloxypropan-2-ol
CID 158358225
1-[2-[2-[2-(2-hydroxybutoxy)ethoxy]ethoxy]ethoxy]butan-2-ol
CID 12645981
1-(2-methoxyethoxy)-3-[1-(methylamino)propan-2-yloxy]propan-2-ol
CID 106991208
(2R)-1-[2-(2-butoxyethoxy)ethoxy]-3-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]propan-2-ol
CID 92518845
1-[2-(2-methoxyethoxy)ethoxy]-3-(propan-2-ylamino)propan-2-ol
CID 104561126
2-methyl-N-(2-propoxyethyl)pentan-3-amine
CID 106451788

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[2-[[(2R)-3-methylbutan-2-yl]amino]ethoxy]ethoxy]ethoxy]-3-propan-2-yloxypropan-2-ol?
The IUPAC name of 1-[2-[2-[2-[[(2R)-3-methylbutan-2-yl]amino]ethoxy]ethoxy]ethoxy]-3-propan-2-yloxypropan-2-ol (CID 146526522) is 1-[2-[2-[2-[[(2R)-3-methylbutan-2-yl]amino]ethoxy]ethoxy]ethoxy]-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for 1-[2-[2-[2-[[(2R)-3-methylbutan-2-yl]amino]ethoxy]ethoxy]ethoxy]-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for 1-[2-[2-[2-[[(2R)-3-methylbutan-2-yl]amino]ethoxy]ethoxy]ethoxy]-3-propan-2-yloxypropan-2-ol is CC(C)OCC(O)COCCOCCOCCN[C@H](C)C(C)C.
What is the InChIKey of 1-[2-[2-[2-[[(2R)-3-methylbutan-2-yl]amino]ethoxy]ethoxy]ethoxy]-3-propan-2-yloxypropan-2-ol?
The InChIKey is FJJLPTHAIVWWDA-TZHYSIJRSA-N. The full InChI is InChI=1S/C17H37NO5/c1-14(2)16(5)18-6-7-20-8-9-21-10-11-22-12-17(19)13-23-15(3)4/h14-19H,6-13H2,1-5H3/t16-,17?/m1/s1.
What are the key properties of 1-[2-[2-[2-[[(2R)-3-methylbutan-2-yl]amino]ethoxy]ethoxy]ethoxy]-3-propan-2-yloxypropan-2-ol?
1-[2-[2-[2-[[(2R)-3-methylbutan-2-yl]amino]ethoxy]ethoxy]ethoxy]-3-propan-2-yloxypropan-2-ol has a molecular weight of 335.49 g/mol, XLogP of 1.46, 16 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[2-[[(2R)-3-methylbutan-2-yl]amino]ethoxy]ethoxy]ethoxy]-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 146526522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).