N-methylethanamine;5-oxopentanamide

C8H18N2O2 — CID 143785346

IUPACN-methylethanamine;5-oxopentanamide
SMILESCCNC.NC(=O)CCCC=O
InChIInChI=1S/C5H9NO2.C3H9N/c6-5(8)3-1-2-4-7;1-3-4-2/h4H,1-3H2,(H2,6,8);4H,3H2,1-2H3
InChIKeyUMBKOEBKFFYDEV-UHFFFAOYSA-N
MW174.24 g/mol
LogP0.07
Rot. Bonds5

About N-methylethanamine;5-oxopentanamide

N-methylethanamine;5-oxopentanamide (PubChem CID 143785346) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is N-methylethanamine;5-oxopentanamide.

Molecular Properties

Compound NameN-methylethanamine;5-oxopentanamide
PubChem CID143785346
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC NameN-methylethanamine;5-oxopentanamide
SMILESCCNC.NC(=O)CCCC=O
InChIInChI=1S/C5H9NO2.C3H9N/c6-5(8)3-1-2-4-7;1-3-4-2/h4H,1-3H2,(H2,6,8);4H,3H2,1-2H3
InChIKeyUMBKOEBKFFYDEV-UHFFFAOYSA-N
XLogP0.07
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

12-oxododecanamide
CID 54019408
17-oxoheptadecanamide
CID 54112129
N-ethyl-5-oxopentanamide
CID 54062498
N-methylmethanamine;5-oxohexanal
CID 144530013
N-methoxy-5-oxopentanamide
CID 91086399
acetamide;hexanal
CID 157359480
(E)-hept-5-enamide
CID 18415105
6-oxohexanamide;2,2,2-trifluoroacetic acid
CID 175908161
N-methyl-18-oxooctadecanamide
CID 145081820
N'-ethylnonanediamide
CID 18377762
N'-ethyldodecanediamide
CID 175230920
4-(methylamino)butanal;N-methylbutan-1-amine
CID 143130066

Frequently Asked Questions

What is the IUPAC name of N-methylethanamine;5-oxopentanamide?
The IUPAC name of N-methylethanamine;5-oxopentanamide (CID 143785346) is N-methylethanamine;5-oxopentanamide.
What is the SMILES notation for N-methylethanamine;5-oxopentanamide?
The canonical SMILES for N-methylethanamine;5-oxopentanamide is CCNC.NC(=O)CCCC=O.
What is the InChIKey of N-methylethanamine;5-oxopentanamide?
The InChIKey is UMBKOEBKFFYDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2.C3H9N/c6-5(8)3-1-2-4-7;1-3-4-2/h4H,1-3H2,(H2,6,8);4H,3H2,1-2H3.
What are the key properties of N-methylethanamine;5-oxopentanamide?
N-methylethanamine;5-oxopentanamide has a molecular weight of 174.24 g/mol, XLogP of 0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylethanamine;5-oxopentanamide is sourced from PubChem (CID 143785346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).