N-[1-(ethylamino)ethyl]-N-methylpropanamide

C8H18N2O — CID 139891854

IUPACN-[1-(ethylamino)ethyl]-N-methylpropanamide
SMILESCCNC(C)N(C)C(=O)CC
InChIInChI=1S/C8H18N2O/c1-5-8(11)10(4)7(3)9-6-2/h7,9H,5-6H2,1-4H3
InChIKeyQCRJPXSAOGDLIH-UHFFFAOYSA-N
MW158.24 g/mol
LogP0.81
Rot. Bonds4

About N-[1-(ethylamino)ethyl]-N-methylpropanamide

N-[1-(ethylamino)ethyl]-N-methylpropanamide (PubChem CID 139891854) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is N-[1-(ethylamino)ethyl]-N-methylpropanamide.

Molecular Properties

Compound NameN-[1-(ethylamino)ethyl]-N-methylpropanamide
PubChem CID139891854
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC NameN-[1-(ethylamino)ethyl]-N-methylpropanamide
SMILESCCNC(C)N(C)C(=O)CC
InChIInChI=1S/C8H18N2O/c1-5-8(11)10(4)7(3)9-6-2/h7,9H,5-6H2,1-4H3
InChIKeyQCRJPXSAOGDLIH-UHFFFAOYSA-N
XLogP0.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 50.81
H-Bond Donors ≤ 51
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-methyl-N-[(2S)-3-oxobutan-2-yl]propanamide
CID 159278816
N-methyl-N-(1-oxopropan-2-yl)propanamide
CID 19757607
N-methyl-N-(1-methylsulfonylethyl)propanamide
CID 173145957
propan-2-yl 2-[methyl(propanoyl)amino]propanoate
CID 134504961
2-(ethylamino)-N,N,3-trimethylbutanamide
CID 143168828
N-(2-hydroxypropyl)-N-methylpropanamide
CID 18720717
3-(ethylamino)-N',N'-dimethylbutanehydrazide
CID 83021084
ethane;N-(1-fluoro-1-hydroxybutan-2-yl)-N-methylpropanamide
CID 142147176
N-[1-(dimethylamino)-1-oxopropan-2-yl]-3-(ethylamino)butanamide
CID 62838445
3-(ethylamino)-N-(2-hydroxyethyl)-N-propan-2-ylbutanamide
CID 62838618
N-methyl-N-(2-methylbutanethioyl)propanamide
CID 155185491
2-(dimethylamino)-2-(ethylamino)acetamide
CID 151605196

Frequently Asked Questions

What is the IUPAC name of N-[1-(ethylamino)ethyl]-N-methylpropanamide?
The IUPAC name of N-[1-(ethylamino)ethyl]-N-methylpropanamide (CID 139891854) is N-[1-(ethylamino)ethyl]-N-methylpropanamide.
What is the SMILES notation for N-[1-(ethylamino)ethyl]-N-methylpropanamide?
The canonical SMILES for N-[1-(ethylamino)ethyl]-N-methylpropanamide is CCNC(C)N(C)C(=O)CC.
What is the InChIKey of N-[1-(ethylamino)ethyl]-N-methylpropanamide?
The InChIKey is QCRJPXSAOGDLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-5-8(11)10(4)7(3)9-6-2/h7,9H,5-6H2,1-4H3.
What are the key properties of N-[1-(ethylamino)ethyl]-N-methylpropanamide?
N-[1-(ethylamino)ethyl]-N-methylpropanamide has a molecular weight of 158.24 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(ethylamino)ethyl]-N-methylpropanamide is sourced from PubChem (CID 139891854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).