N,N-diethylethanamine;N-methylacetamide

C9H22N2O — CID 19745535

IUPACN,N-diethylethanamine;N-methylacetamide
SMILESCCN(CC)CC.CNC(C)=O
InChIInChI=1S/C6H15N.C3H7NO/c1-4-7(5-2)6-3;1-3(5)4-2/h4-6H2,1-3H3;1-2H3,(H,4,5)
InChIKeyXNBGAUKNZOSUOG-UHFFFAOYSA-N
MW174.29 g/mol
LogP1.10
Rot. Bonds3

About N,N-diethylethanamine;N-methylacetamide

N,N-diethylethanamine;N-methylacetamide (PubChem CID 19745535) has the molecular formula C9H22N2O and a molecular weight of 174.29 g/mol. Its IUPAC name is N,N-diethylethanamine;N-methylacetamide.

Molecular Properties

Compound NameN,N-diethylethanamine;N-methylacetamide
PubChem CID19745535
Molecular FormulaC9H22N2O
Molecular Weight174.29 g/mol
Exact Mass174.17
IUPAC NameN,N-diethylethanamine;N-methylacetamide
SMILESCCN(CC)CC.CNC(C)=O
InChIInChI=1S/C6H15N.C3H7NO/c1-4-7(5-2)6-3;1-3(5)4-2/h4-6H2,1-3H3;1-2H3,(H,4,5)
InChIKeyXNBGAUKNZOSUOG-UHFFFAOYSA-N
XLogP1.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-diethylethanamine;N-methylacetamide?
The IUPAC name of N,N-diethylethanamine;N-methylacetamide (CID 19745535) is N,N-diethylethanamine;N-methylacetamide.
What is the SMILES notation for N,N-diethylethanamine;N-methylacetamide?
The canonical SMILES for N,N-diethylethanamine;N-methylacetamide is CCN(CC)CC.CNC(C)=O.
What is the InChIKey of N,N-diethylethanamine;N-methylacetamide?
The InChIKey is XNBGAUKNZOSUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.C3H7NO/c1-4-7(5-2)6-3;1-3(5)4-2/h4-6H2,1-3H3;1-2H3,(H,4,5).
What are the key properties of N,N-diethylethanamine;N-methylacetamide?
N,N-diethylethanamine;N-methylacetamide has a molecular weight of 174.29 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylethanamine;N-methylacetamide is sourced from PubChem (CID 19745535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).