N,N-diethylethanamine;ethyl acetate;toluene

C17H31NO2 — CID 18540426

IUPACN,N-diethylethanamine;ethyl acetate;toluene
SMILESCCN(CC)CC.CCOC(C)=O.Cc1ccccc1
InChIInChI=1S/C7H8.C6H15N.C4H8O2/c1-7-5-3-2-4-6-7;1-4-7(5-2)6-3;1-3-6-4(2)5/h2-6H,1H3;4-6H2,1-3H3;3H2,1-2H3
InChIKeyWUXPOBUZRMLFGI-UHFFFAOYSA-N
MW281.44 g/mol
LogP3.91
Rot. Bonds4

About N,N-diethylethanamine;ethyl acetate;toluene

N,N-diethylethanamine;ethyl acetate;toluene (PubChem CID 18540426) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is N,N-diethylethanamine;ethyl acetate;toluene.

Molecular Properties

Compound NameN,N-diethylethanamine;ethyl acetate;toluene
PubChem CID18540426
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC NameN,N-diethylethanamine;ethyl acetate;toluene
SMILESCCN(CC)CC.CCOC(C)=O.Cc1ccccc1
InChIInChI=1S/C7H8.C6H15N.C4H8O2/c1-7-5-3-2-4-6-7;1-4-7(5-2)6-3;1-3-6-4(2)5/h2-6H,1H3;4-6H2,1-3H3;3H2,1-2H3
InChIKeyWUXPOBUZRMLFGI-UHFFFAOYSA-N
XLogP3.91
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethylethanamine;ethyl acetate;toluene?
The IUPAC name of N,N-diethylethanamine;ethyl acetate;toluene (CID 18540426) is N,N-diethylethanamine;ethyl acetate;toluene.
What is the SMILES notation for N,N-diethylethanamine;ethyl acetate;toluene?
The canonical SMILES for N,N-diethylethanamine;ethyl acetate;toluene is CCN(CC)CC.CCOC(C)=O.Cc1ccccc1.
What is the InChIKey of N,N-diethylethanamine;ethyl acetate;toluene?
The InChIKey is WUXPOBUZRMLFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.C6H15N.C4H8O2/c1-7-5-3-2-4-6-7;1-4-7(5-2)6-3;1-3-6-4(2)5/h2-6H,1H3;4-6H2,1-3H3;3H2,1-2H3.
What are the key properties of N,N-diethylethanamine;ethyl acetate;toluene?
N,N-diethylethanamine;ethyl acetate;toluene has a molecular weight of 281.44 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylethanamine;ethyl acetate;toluene is sourced from PubChem (CID 18540426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).