2-(16-ethyl-1,4,7,13-tetraoxa-10,16-diazacyclooctadec-10-yl)ethanol

C16H34N2O5 — CID 14611743

IUPAC2-(16-ethyl-1,4,7,13-tetraoxa-10,16-diazacyclooctadec-10-yl)ethanol
SMILESCCN1CCOCCOCCOCCN(CCO)CCOCC1
InChIInChI=1S/C16H34N2O5/c1-2-17-4-9-20-11-6-18(3-8-19)7-12-22-14-16-23-15-13-21-10-5-17/h19H,2-16H2,1H3
InChIKeyGALMAPSCEBBHGV-UHFFFAOYSA-N
MW334.46 g/mol
LogP-0.32
Rot. Bonds3

About 2-(16-ethyl-1,4,7,13-tetraoxa-10,16-diazacyclooctadec-10-yl)ethanol

2-(16-ethyl-1,4,7,13-tetraoxa-10,16-diazacyclooctadec-10-yl)ethanol (PubChem CID 14611743) has the molecular formula C16H34N2O5 and a molecular weight of 334.46 g/mol. Its IUPAC name is 2-(16-ethyl-1,4,7,13-tetraoxa-10,16-diazacyclooctadec-10-yl)ethanol.

Molecular Properties

Compound Name2-(16-ethyl-1,4,7,13-tetraoxa-10,16-diazacyclooctadec-10-yl)ethanol
PubChem CID14611743
Molecular FormulaC16H34N2O5
Molecular Weight334.46 g/mol
Exact Mass334.25
IUPAC Name2-(16-ethyl-1,4,7,13-tetraoxa-10,16-diazacyclooctadec-10-yl)ethanol
SMILESCCN1CCOCCOCCOCCN(CCO)CCOCC1
InChIInChI=1S/C16H34N2O5/c1-2-17-4-9-20-11-6-18(3-8-19)7-12-22-14-16-23-15-13-21-10-5-17/h19H,2-16H2,1H3
InChIKeyGALMAPSCEBBHGV-UHFFFAOYSA-N
XLogP-0.32
TPSA63.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-ethylpiperazin-1-yl)ethanol;methane
CID 162265705
4-ethylmorpholine;hydron
CID 174383624
astatane;4-ethylmorpholine
CID 174883073
2-(dimethylamino)ethanol;4-ethylmorpholine
CID 174947798
16-propyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 71337150
bis(2-(4-ethylpiperazin-1-yl)ethanol);methane;bis(2-(4-propylpiperazin-1-yl)ethanol)
CID 161496003
ethane;4-ethylmorpholine;propan-2-ol
CID 172575881
4-ethylmorpholine;formic acid
CID 158286088
ethane;4-morpholin-4-ylbutan-1-ol
CID 162683886
7-ethyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
CID 134951653
4-ethyl-1,4-oxazocane
CID 123629290
2-[4-[2-[4,7-bis(2-hydroxyethyl)-1,4,7-triazonan-1-yl]ethyl]-7-(2-hydroxyethyl)-1,4,7-triazonan-1-yl]ethanol
CID 18512424

Frequently Asked Questions

What is the IUPAC name of 2-(16-ethyl-1,4,7,13-tetraoxa-10,16-diazacyclooctadec-10-yl)ethanol?
The IUPAC name of 2-(16-ethyl-1,4,7,13-tetraoxa-10,16-diazacyclooctadec-10-yl)ethanol (CID 14611743) is 2-(16-ethyl-1,4,7,13-tetraoxa-10,16-diazacyclooctadec-10-yl)ethanol.
What is the SMILES notation for 2-(16-ethyl-1,4,7,13-tetraoxa-10,16-diazacyclooctadec-10-yl)ethanol?
The canonical SMILES for 2-(16-ethyl-1,4,7,13-tetraoxa-10,16-diazacyclooctadec-10-yl)ethanol is CCN1CCOCCOCCOCCN(CCO)CCOCC1.
What is the InChIKey of 2-(16-ethyl-1,4,7,13-tetraoxa-10,16-diazacyclooctadec-10-yl)ethanol?
The InChIKey is GALMAPSCEBBHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O5/c1-2-17-4-9-20-11-6-18(3-8-19)7-12-22-14-16-23-15-13-21-10-5-17/h19H,2-16H2,1H3.
What are the key properties of 2-(16-ethyl-1,4,7,13-tetraoxa-10,16-diazacyclooctadec-10-yl)ethanol?
2-(16-ethyl-1,4,7,13-tetraoxa-10,16-diazacyclooctadec-10-yl)ethanol has a molecular weight of 334.46 g/mol, XLogP of -0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(16-ethyl-1,4,7,13-tetraoxa-10,16-diazacyclooctadec-10-yl)ethanol is sourced from PubChem (CID 14611743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).