tert-butyl N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-N-methylcarbamate

C12H26N2O3 — CID 123482327

IUPACtert-butyl N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-N-methylcarbamate
SMILESCCN(CCO)CCN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C12H26N2O3/c1-6-14(9-10-15)8-7-13(5)11(16)17-12(2,3)4/h15H,6-10H2,1-5H3
InChIKeyKCSVIXULFWGDFO-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.17
Rot. Bonds6

About tert-butyl N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-N-methylcarbamate

tert-butyl N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-N-methylcarbamate (PubChem CID 123482327) has the molecular formula C12H26N2O3 and a molecular weight of 246.35 g/mol. Its IUPAC name is tert-butyl N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-N-methylcarbamate
PubChem CID123482327
Molecular FormulaC12H26N2O3
Molecular Weight246.35 g/mol
Exact Mass246.19
IUPAC Nametert-butyl N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-N-methylcarbamate
SMILESCCN(CCO)CCN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C12H26N2O3/c1-6-14(9-10-15)8-7-13(5)11(16)17-12(2,3)4/h15H,6-10H2,1-5H3
InChIKeyKCSVIXULFWGDFO-UHFFFAOYSA-N
XLogP1.17
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-[benzyl(2-hydroxyethyl)amino]ethyl]-N-methylcarbamate
CID 156839816
tert-butyl N-[2-(diethylamino)ethyl]-N-methylcarbamate;(Z)-heptadec-8-ene
CID 176669865
tert-butyl N-[2-(diethylamino)ethyl]-N-ethylcarbamate
CID 176669886
2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethylazanium
CID 7006641
tert-butyl N-(2-aminooxyethyl)-N-methylcarbamate
CID 23398498
tert-butyl N-(9-bromononyl)-N-methylcarbamate
CID 166638484
tert-butyl N-methyl-N-(3-methylbutyl)carbamate;propane
CID 163221568
tert-butyl N-(2-ethylsulfanylethyl)-N-methylcarbamate
CID 175563660
tert-butyl N-(2-hydroxyethyl)-N-[2-[2-hydroxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]carbamate
CID 554102
2-[2-[2-[bis(2-hydroxyethyl)amino]ethyl-ethylamino]ethyl-(2-hydroxyethyl)amino]ethanol
CID 139832318
3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 6991933
tert-butyl N-methyl-N-[2-(propylamino)ethyl]carbamate
CID 89066320

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-N-methylcarbamate (CID 123482327) is tert-butyl N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-N-methylcarbamate is CCN(CCO)CCN(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-N-methylcarbamate?
The InChIKey is KCSVIXULFWGDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3/c1-6-14(9-10-15)8-7-13(5)11(16)17-12(2,3)4/h15H,6-10H2,1-5H3.
What are the key properties of tert-butyl N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-N-methylcarbamate?
tert-butyl N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-N-methylcarbamate has a molecular weight of 246.35 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-N-methylcarbamate is sourced from PubChem (CID 123482327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).