N-[1-(diethylamino)ethyl]-N-methylacetamide

C9H20N2O — CID 141054197

IUPACN-[1-(diethylamino)ethyl]-N-methylacetamide
SMILESCCN(CC)C(C)N(C)C(C)=O
InChIInChI=1S/C9H20N2O/c1-6-11(7-2)8(3)10(5)9(4)12/h8H,6-7H2,1-5H3
InChIKeyIZANGLOYUPORQO-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.15
Rot. Bonds4

About N-[1-(diethylamino)ethyl]-N-methylacetamide

N-[1-(diethylamino)ethyl]-N-methylacetamide (PubChem CID 141054197) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is N-[1-(diethylamino)ethyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[1-(diethylamino)ethyl]-N-methylacetamide
PubChem CID141054197
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC NameN-[1-(diethylamino)ethyl]-N-methylacetamide
SMILESCCN(CC)C(C)N(C)C(C)=O
InChIInChI=1S/C9H20N2O/c1-6-11(7-2)8(3)10(5)9(4)12/h8H,6-7H2,1-5H3
InChIKeyIZANGLOYUPORQO-UHFFFAOYSA-N
XLogP1.15
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[1-(diethylamino)ethyl]-N-methylcarbamoyl chloride
CID 89202898
N-(1-chloropropan-2-yl)-N-methylacetamide
CID 104555726
2-[ethyl(propan-2-yl)amino]-N-methyl-N-propan-2-ylacetamide
CID 176579290
N-[(2S)-2-[acetyl(methyl)amino]propyl]-N-methylacetamide
CID 99908303
N-methyl-N-(1-methylsulfanylpropan-2-yl)acetamide
CID 112692053
N-methyl-N-(3-methyl-1-oxopentan-2-yl)acetamide
CID 19757608
acetic acid;N,N-diethylbutan-2-amine;hydroiodide
CID 87971936
N-methyl-N-(3-methylbutan-2-yl)acetamide
CID 59974512
(2S)-2-(diethylamino)propanoic acid
CID 18664197
[(2R)-butan-2-yl] (2S)-2-[acetyl(methyl)amino]propanoate
CID 174076582
2-[ethyl(2-hydroxyethyl)amino]-N,N-dimethylpropanamide
CID 60686110
3-[ethyl(3-oxobutan-2-yl)amino]propanoic acid
CID 82329294

Frequently Asked Questions

What is the IUPAC name of N-[1-(diethylamino)ethyl]-N-methylacetamide?
The IUPAC name of N-[1-(diethylamino)ethyl]-N-methylacetamide (CID 141054197) is N-[1-(diethylamino)ethyl]-N-methylacetamide.
What is the SMILES notation for N-[1-(diethylamino)ethyl]-N-methylacetamide?
The canonical SMILES for N-[1-(diethylamino)ethyl]-N-methylacetamide is CCN(CC)C(C)N(C)C(C)=O.
What is the InChIKey of N-[1-(diethylamino)ethyl]-N-methylacetamide?
The InChIKey is IZANGLOYUPORQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-6-11(7-2)8(3)10(5)9(4)12/h8H,6-7H2,1-5H3.
What are the key properties of N-[1-(diethylamino)ethyl]-N-methylacetamide?
N-[1-(diethylamino)ethyl]-N-methylacetamide has a molecular weight of 172.27 g/mol, XLogP of 1.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(diethylamino)ethyl]-N-methylacetamide is sourced from PubChem (CID 141054197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).