N-[2-(methylamino)ethyl]acetamide

C5H12N2O — CID 23046090

IUPACN-[2-(methylamino)ethyl]acetamide
SMILESCNCCNC(C)=O
InChIInChI=1S/C5H12N2O/c1-5(8)7-4-3-6-2/h6H,3-4H2,1-2H3,(H,7,8)
InChIKeyYMLMNCAFOVWVSV-UHFFFAOYSA-N
MW116.16 g/mol
LogP-0.66
Rot. Bonds3

About N-[2-(methylamino)ethyl]acetamide

N-[2-(methylamino)ethyl]acetamide (PubChem CID 23046090) has the molecular formula C5H12N2O and a molecular weight of 116.16 g/mol. Its IUPAC name is N-[2-(methylamino)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(methylamino)ethyl]acetamide
PubChem CID23046090
Molecular FormulaC5H12N2O
Molecular Weight116.16 g/mol
Exact Mass116.09
IUPAC NameN-[2-(methylamino)ethyl]acetamide
SMILESCNCCNC(C)=O
InChIInChI=1S/C5H12N2O/c1-5(8)7-4-3-6-2/h6H,3-4H2,1-2H3,(H,7,8)
InChIKeyYMLMNCAFOVWVSV-UHFFFAOYSA-N
XLogP-0.66
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)ethyl]acetamide?
The IUPAC name of N-[2-(methylamino)ethyl]acetamide (CID 23046090) is N-[2-(methylamino)ethyl]acetamide.
What is the SMILES notation for N-[2-(methylamino)ethyl]acetamide?
The canonical SMILES for N-[2-(methylamino)ethyl]acetamide is CNCCNC(C)=O.
What is the InChIKey of N-[2-(methylamino)ethyl]acetamide?
The InChIKey is YMLMNCAFOVWVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O/c1-5(8)7-4-3-6-2/h6H,3-4H2,1-2H3,(H,7,8).
What are the key properties of N-[2-(methylamino)ethyl]acetamide?
N-[2-(methylamino)ethyl]acetamide has a molecular weight of 116.16 g/mol, XLogP of -0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)ethyl]acetamide is sourced from PubChem (CID 23046090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).