2-[bis(2-hydroxyethyl)amino]ethanol;ethyl carbamate

C9H22N2O5 — CID 174889330

IUPAC2-[bis(2-hydroxyethyl)amino]ethanol;ethyl carbamate
SMILESCCOC(N)=O.OCCN(CCO)CCO
InChIInChI=1S/C6H15NO3.C3H7NO2/c8-4-1-7(2-5-9)3-6-10;1-2-6-3(4)5/h8-10H,1-6H2;2H2,1H3,(H2,4,5)
InChIKeyXOXXILDJZBUPMW-UHFFFAOYSA-N
MW238.28 g/mol
LogP-1.63
Rot. Bonds7

About 2-[bis(2-hydroxyethyl)amino]ethanol;ethyl carbamate

2-[bis(2-hydroxyethyl)amino]ethanol;ethyl carbamate (PubChem CID 174889330) has the molecular formula C9H22N2O5 and a molecular weight of 238.28 g/mol. Its IUPAC name is 2-[bis(2-hydroxyethyl)amino]ethanol;ethyl carbamate.

Molecular Properties

Compound Name2-[bis(2-hydroxyethyl)amino]ethanol;ethyl carbamate
PubChem CID174889330
Molecular FormulaC9H22N2O5
Molecular Weight238.28 g/mol
Exact Mass238.15
IUPAC Name2-[bis(2-hydroxyethyl)amino]ethanol;ethyl carbamate
SMILESCCOC(N)=O.OCCN(CCO)CCO
InChIInChI=1S/C6H15NO3.C3H7NO2/c8-4-1-7(2-5-9)3-6-10;1-2-6-3(4)5/h8-10H,1-6H2;2H2,1H3,(H2,4,5)
InChIKeyXOXXILDJZBUPMW-UHFFFAOYSA-N
XLogP-1.63
TPSA116.25 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 5-1.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl carbamate
CID 161409576
ethyl carbamate
CID 21202847
ethyl carbamate
CID 158786750
ethyl carbamate;platinum
CID 174699937
CID 173388727
CID 173388727
ethyl carbamate;oxotitanium
CID 174887508
acetic acid;ethyl carbamate
CID 157349378
boric acid;ethyl carbamate
CID 161179489
2-[bis(2-hydroxyethyl)amino]ethanol;ethoxyethane
CID 22156510
2-[bis(2-hydroxyethyl)amino]ethanol;ethanamine
CID 160554975
2-[bis(2-hydroxyethyl)amino]ethanol;propane
CID 160839946
ethyl carbamate;bis(2-methylprop-1-ene)
CID 159122273

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-hydroxyethyl)amino]ethanol;ethyl carbamate?
The IUPAC name of 2-[bis(2-hydroxyethyl)amino]ethanol;ethyl carbamate (CID 174889330) is 2-[bis(2-hydroxyethyl)amino]ethanol;ethyl carbamate.
What is the SMILES notation for 2-[bis(2-hydroxyethyl)amino]ethanol;ethyl carbamate?
The canonical SMILES for 2-[bis(2-hydroxyethyl)amino]ethanol;ethyl carbamate is CCOC(N)=O.OCCN(CCO)CCO.
What is the InChIKey of 2-[bis(2-hydroxyethyl)amino]ethanol;ethyl carbamate?
The InChIKey is XOXXILDJZBUPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO3.C3H7NO2/c8-4-1-7(2-5-9)3-6-10;1-2-6-3(4)5/h8-10H,1-6H2;2H2,1H3,(H2,4,5).
What are the key properties of 2-[bis(2-hydroxyethyl)amino]ethanol;ethyl carbamate?
2-[bis(2-hydroxyethyl)amino]ethanol;ethyl carbamate has a molecular weight of 238.28 g/mol, XLogP of -1.63, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-hydroxyethyl)amino]ethanol;ethyl carbamate is sourced from PubChem (CID 174889330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).