N,N-diethylethanamine;ethyl methyl carbonate

C10H23NO3 — CID 175445497

IUPACN,N-diethylethanamine;ethyl methyl carbonate
SMILESCCN(CC)CC.CCOC(=O)OC
InChIInChI=1S/C6H15N.C4H8O3/c1-4-7(5-2)6-3;1-3-7-4(5)6-2/h4-6H2,1-3H3;3H2,1-2H3
InChIKeyTXFNEIGDYLZLEJ-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.14
Rot. Bonds4

About N,N-diethylethanamine;ethyl methyl carbonate

N,N-diethylethanamine;ethyl methyl carbonate (PubChem CID 175445497) has the molecular formula C10H23NO3 and a molecular weight of 205.30 g/mol. Its IUPAC name is N,N-diethylethanamine;ethyl methyl carbonate.

Molecular Properties

Compound NameN,N-diethylethanamine;ethyl methyl carbonate
PubChem CID175445497
Molecular FormulaC10H23NO3
Molecular Weight205.30 g/mol
Exact Mass205.17
IUPAC NameN,N-diethylethanamine;ethyl methyl carbonate
SMILESCCN(CC)CC.CCOC(=O)OC
InChIInChI=1S/C6H15N.C4H8O3/c1-4-7(5-2)6-3;1-3-7-4(5)6-2/h4-6H2,1-3H3;3H2,1-2H3
InChIKeyTXFNEIGDYLZLEJ-UHFFFAOYSA-N
XLogP2.14
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

diethyl carbonate;dimethyl carbonate;ethyl methyl carbonate
CID 87546918
CID 175269376
CID 175269376
ethanol;ethyl methyl carbonate
CID 161101393
CID 175796855
CID 175796855
diethyl carbonate;N,N-dimethylmethanamine
CID 88502244
ethyl N-ethyl-N-propan-2-ylcarbamate
CID 61216466
methyl 2-amino-2-ethoxycarbonyloxyacetate
CID 134425335
N,N-diethylethanamine;hydroxycarbamic acid
CID 174953323
N,N-diethylethanamine;N-methylacetamide
CID 19745535
ethyl methyl carbonate;prop-2-enyl hydrogen carbonate
CID 174592666
1,3-dioxane;ethyl methyl carbonate
CID 174876251
carbon dioxide;ethyl methyl carbonate;propane-1,2,3-triol;dihydrate
CID 160666750

Frequently Asked Questions

What is the IUPAC name of N,N-diethylethanamine;ethyl methyl carbonate?
The IUPAC name of N,N-diethylethanamine;ethyl methyl carbonate (CID 175445497) is N,N-diethylethanamine;ethyl methyl carbonate.
What is the SMILES notation for N,N-diethylethanamine;ethyl methyl carbonate?
The canonical SMILES for N,N-diethylethanamine;ethyl methyl carbonate is CCN(CC)CC.CCOC(=O)OC.
What is the InChIKey of N,N-diethylethanamine;ethyl methyl carbonate?
The InChIKey is TXFNEIGDYLZLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.C4H8O3/c1-4-7(5-2)6-3;1-3-7-4(5)6-2/h4-6H2,1-3H3;3H2,1-2H3.
What are the key properties of N,N-diethylethanamine;ethyl methyl carbonate?
N,N-diethylethanamine;ethyl methyl carbonate has a molecular weight of 205.30 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylethanamine;ethyl methyl carbonate is sourced from PubChem (CID 175445497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).