N-[1-(methylamino)ethyl]acetamide

C5H12N2O — CID 87728985

IUPACN-[1-(methylamino)ethyl]acetamide
SMILESCNC(C)NC(C)=O
InChIInChI=1S/C5H12N2O/c1-4(6-3)7-5(2)8/h4,6H,1-3H3,(H,7,8)
InChIKeyZHZPKWMQXKAAKY-UHFFFAOYSA-N
MW116.16 g/mol
LogP-0.31
Rot. Bonds2

About N-[1-(methylamino)ethyl]acetamide

N-[1-(methylamino)ethyl]acetamide (PubChem CID 87728985) has the molecular formula C5H12N2O and a molecular weight of 116.16 g/mol. Its IUPAC name is N-[1-(methylamino)ethyl]acetamide.

Molecular Properties

Compound NameN-[1-(methylamino)ethyl]acetamide
PubChem CID87728985
Molecular FormulaC5H12N2O
Molecular Weight116.16 g/mol
Exact Mass116.09
IUPAC NameN-[1-(methylamino)ethyl]acetamide
SMILESCNC(C)NC(C)=O
InChIInChI=1S/C5H12N2O/c1-4(6-3)7-5(2)8/h4,6H,1-3H3,(H,7,8)
InChIKeyZHZPKWMQXKAAKY-UHFFFAOYSA-N
XLogP-0.31
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
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-(hydroxyamino)ethyl]acetamide;molecular hydrogen
CID 142966371
N-[1-(methylamino)ethyl]ethanethioamide
CID 89174793
N-methylacetamide;1-(methylamino)ethanol
CID 159501218
N-(1-acetamido-2-methylpropyl)acetamide
CID 14691990
N-(1-fluoroethyl)acetamide
CID 123354067
methyl N-(1-acetamidoethyl)carbamodithioate
CID 88733867
N-[(2R)-1-(methylamino)propan-2-yl]acetamide
CID 88935703
N-[dimethylamino(methylamino)methyl]acetamide
CID 131999819
(2S)-2-(acetyl(15N)amino)propanoic acid
CID 102175488
(2S)-2-acetamido-N-[(2S)-1-[[(2S)-1-[[(2S)-1-(methylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide
CID 71361060
(2S)-2-acetamidopropanoate
CID 6926438
N-[(2S)-3-aminobutan-2-yl]acetamide
CID 58714923

Frequently Asked Questions

What is the IUPAC name of N-[1-(methylamino)ethyl]acetamide?
The IUPAC name of N-[1-(methylamino)ethyl]acetamide (CID 87728985) is N-[1-(methylamino)ethyl]acetamide.
What is the SMILES notation for N-[1-(methylamino)ethyl]acetamide?
The canonical SMILES for N-[1-(methylamino)ethyl]acetamide is CNC(C)NC(C)=O.
What is the InChIKey of N-[1-(methylamino)ethyl]acetamide?
The InChIKey is ZHZPKWMQXKAAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O/c1-4(6-3)7-5(2)8/h4,6H,1-3H3,(H,7,8).
What are the key properties of N-[1-(methylamino)ethyl]acetamide?
N-[1-(methylamino)ethyl]acetamide has a molecular weight of 116.16 g/mol, XLogP of -0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(methylamino)ethyl]acetamide is sourced from PubChem (CID 87728985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).