2,5-diethoxy-3-(1-ethoxy-2-methoxyethyl)-1,6-dimethoxyhexan-3-amine

C17H37NO6 — CID 19833551

IUPAC2,5-diethoxy-3-(1-ethoxy-2-methoxyethyl)-1,6-dimethoxyhexan-3-amine
SMILESCCOC(COC)CC(N)(C(COC)OCC)C(COC)OCC
InChIInChI=1S/C17H37NO6/c1-7-22-14(11-19-4)10-17(18,15(12-20-5)23-8-2)16(13-21-6)24-9-3/h14-16H,7-13,18H2,1-6H3
InChIKeyDXXYKVQOLFZKFU-UHFFFAOYSA-N
MW351.48 g/mol
LogP1.23
Rot. Bonds16

About 2,5-diethoxy-3-(1-ethoxy-2-methoxyethyl)-1,6-dimethoxyhexan-3-amine

2,5-diethoxy-3-(1-ethoxy-2-methoxyethyl)-1,6-dimethoxyhexan-3-amine (PubChem CID 19833551) has the molecular formula C17H37NO6 and a molecular weight of 351.48 g/mol. Its IUPAC name is 2,5-diethoxy-3-(1-ethoxy-2-methoxyethyl)-1,6-dimethoxyhexan-3-amine.

Molecular Properties

Compound Name2,5-diethoxy-3-(1-ethoxy-2-methoxyethyl)-1,6-dimethoxyhexan-3-amine
PubChem CID19833551
Molecular FormulaC17H37NO6
Molecular Weight351.48 g/mol
Exact Mass351.26
IUPAC Name2,5-diethoxy-3-(1-ethoxy-2-methoxyethyl)-1,6-dimethoxyhexan-3-amine
SMILESCCOC(COC)CC(N)(C(COC)OCC)C(COC)OCC
InChIInChI=1S/C17H37NO6/c1-7-22-14(11-19-4)10-17(18,15(12-20-5)23-8-2)16(13-21-6)24-9-3/h14-16H,7-13,18H2,1-6H3
InChIKeyDXXYKVQOLFZKFU-UHFFFAOYSA-N
XLogP1.23
TPSA81.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.48
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-ethoxy-1,4-dimethoxybutane
CID 87963215
N-(2-ethoxy-3-methoxypropyl)-2-methylpropan-2-amine
CID 103227770
3-ethoxy-1,5-dimethoxypentane
CID 20810650
(2-ethoxy-3-methoxypropyl) methyl hydrogen phosphate
CID 59083652
1-ethoxy-1-fluoro-2-methoxyethane
CID 177367810
1,1-diethoxy-3-methoxy-2-(methoxymethyl)propane
CID 58765891
1,2-dimethoxy-4,4-dimethylpentane
CID 59679444
2-ethoxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-1-amine
CID 104560310
2-butoxy-3-methoxypropan-1-amine
CID 103227994
(1R)-1-[(1R)-1-ethoxyethoxy]-2-methoxyethanethiol
CID 97303801
1,1,3-triethoxy-3-silylpropan-1-amine
CID 152765619
2-(1-ethoxypropyl)-2-(hydroxymethyl)propane-1,3-diol
CID 18426421

Frequently Asked Questions

What is the IUPAC name of 2,5-diethoxy-3-(1-ethoxy-2-methoxyethyl)-1,6-dimethoxyhexan-3-amine?
The IUPAC name of 2,5-diethoxy-3-(1-ethoxy-2-methoxyethyl)-1,6-dimethoxyhexan-3-amine (CID 19833551) is 2,5-diethoxy-3-(1-ethoxy-2-methoxyethyl)-1,6-dimethoxyhexan-3-amine.
What is the SMILES notation for 2,5-diethoxy-3-(1-ethoxy-2-methoxyethyl)-1,6-dimethoxyhexan-3-amine?
The canonical SMILES for 2,5-diethoxy-3-(1-ethoxy-2-methoxyethyl)-1,6-dimethoxyhexan-3-amine is CCOC(COC)CC(N)(C(COC)OCC)C(COC)OCC.
What is the InChIKey of 2,5-diethoxy-3-(1-ethoxy-2-methoxyethyl)-1,6-dimethoxyhexan-3-amine?
The InChIKey is DXXYKVQOLFZKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37NO6/c1-7-22-14(11-19-4)10-17(18,15(12-20-5)23-8-2)16(13-21-6)24-9-3/h14-16H,7-13,18H2,1-6H3.
What are the key properties of 2,5-diethoxy-3-(1-ethoxy-2-methoxyethyl)-1,6-dimethoxyhexan-3-amine?
2,5-diethoxy-3-(1-ethoxy-2-methoxyethyl)-1,6-dimethoxyhexan-3-amine has a molecular weight of 351.48 g/mol, XLogP of 1.23, 16 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diethoxy-3-(1-ethoxy-2-methoxyethyl)-1,6-dimethoxyhexan-3-amine is sourced from PubChem (CID 19833551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).