tert-butyl N-[2-(diethylamino)ethyl]-N-ethylcarbamate

C13H28N2O2 — CID 176669886

IUPACtert-butyl N-[2-(diethylamino)ethyl]-N-ethylcarbamate
SMILESCCN(CC)CCN(CC)C(=O)OC(C)(C)C
InChIInChI=1S/C13H28N2O2/c1-7-14(8-2)10-11-15(9-3)12(16)17-13(4,5)6/h7-11H2,1-6H3
InChIKeyXDXCKOUQWVRFQT-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.59
Rot. Bonds6

About tert-butyl N-[2-(diethylamino)ethyl]-N-ethylcarbamate

tert-butyl N-[2-(diethylamino)ethyl]-N-ethylcarbamate (PubChem CID 176669886) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is tert-butyl N-[2-(diethylamino)ethyl]-N-ethylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(diethylamino)ethyl]-N-ethylcarbamate
PubChem CID176669886
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Nametert-butyl N-[2-(diethylamino)ethyl]-N-ethylcarbamate
SMILESCCN(CC)CCN(CC)C(=O)OC(C)(C)C
InChIInChI=1S/C13H28N2O2/c1-7-14(8-2)10-11-15(9-3)12(16)17-13(4,5)6/h7-11H2,1-6H3
InChIKeyXDXCKOUQWVRFQT-UHFFFAOYSA-N
XLogP2.59
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[3-(diethylamino)propyl]-N-ethylcarbamate
CID 102998322
tert-butyl N-ethyl-N-(4-hydroxybutyl)carbamate
CID 87693866
tert-butyl N-ethyl-N-(3-oxopentyl)carbamate
CID 122518879
tert-butyl N-ethyl-N-[2-(methylamino)ethyl]carbamate
CID 89069873
tert-butyl N-ethyl-N-(3-methyl-4-oxopentyl)carbamate
CID 142256576
tert-butyl N-(aminomethyl)-N-ethylcarbamate
CID 130382766
tert-butyl N-ethyl-N-[(3R)-3-hydroxypentyl]carbamate
CID 89169679
methyl 4-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-methylbutanoate
CID 89026168
tert-butyl N-ethyl-N-(2-formamidoethyl)carbamate
CID 177330267
tert-butyl N-(2-hydroxyethyl)-N-[2-[2-hydroxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]carbamate
CID 554102
acetaldehyde;acetylene;tert-butyl N,N-diethylcarbamate
CID 143752017
tert-butyl N-[2-(2-azidoethoxy)ethyl]-N-ethylcarbamate
CID 166715036

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(diethylamino)ethyl]-N-ethylcarbamate?
The IUPAC name of tert-butyl N-[2-(diethylamino)ethyl]-N-ethylcarbamate (CID 176669886) is tert-butyl N-[2-(diethylamino)ethyl]-N-ethylcarbamate.
What is the SMILES notation for tert-butyl N-[2-(diethylamino)ethyl]-N-ethylcarbamate?
The canonical SMILES for tert-butyl N-[2-(diethylamino)ethyl]-N-ethylcarbamate is CCN(CC)CCN(CC)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(diethylamino)ethyl]-N-ethylcarbamate?
The InChIKey is XDXCKOUQWVRFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-7-14(8-2)10-11-15(9-3)12(16)17-13(4,5)6/h7-11H2,1-6H3.
What are the key properties of tert-butyl N-[2-(diethylamino)ethyl]-N-ethylcarbamate?
tert-butyl N-[2-(diethylamino)ethyl]-N-ethylcarbamate has a molecular weight of 244.38 g/mol, XLogP of 2.59, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(diethylamino)ethyl]-N-ethylcarbamate is sourced from PubChem (CID 176669886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).