dimethyl(propanoyl)azanium

C5H12NO+ — CID 102258414

IUPACdimethyl(propanoyl)azanium
SMILESCCC(=O)[NH+](C)C
InChIInChI=1S/C5H11NO/c1-4-5(7)6(2)3/h4H2,1-3H3/p+1
InChIKeyMBHINSULENHCMF-UHFFFAOYSA-O
MW102.16 g/mol
LogP-0.93
Rot. Bonds1

About dimethyl(propanoyl)azanium

dimethyl(propanoyl)azanium (PubChem CID 102258414) has the molecular formula C5H12NO+ and a molecular weight of 102.16 g/mol. Its IUPAC name is dimethyl(propanoyl)azanium.

Molecular Properties

Compound Namedimethyl(propanoyl)azanium
PubChem CID102258414
Molecular FormulaC5H12NO+
Molecular Weight102.16 g/mol
Exact Mass102.09
IUPAC Namedimethyl(propanoyl)azanium
SMILESCCC(=O)[NH+](C)C
InChIInChI=1S/C5H11NO/c1-4-5(7)6(2)3/h4H2,1-3H3/p+1
InChIKeyMBHINSULENHCMF-UHFFFAOYSA-O
XLogP-0.93
TPSA21.51 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.16
LogP ≤ 5-0.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze dimethyl(propanoyl)azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-Propylacetamide
CID 21407
N-Methylpropanamide
CID 14470
N-Ethylpropionamide
CID 521324
N-Methylbutanamide
CID 28774
N,2,2-Trimethylpropanamide
CID 138844
N-Methylisobutyramide
CID 221961
3-Amino-N-methylpropanamide
CID 14889074
N-methyl-3-(methylamino)propanamide
CID 12548977
N-Propylpropanamide
CID 347476
N-Butylpropanamide
CID 221431
N-methyl-2-fluoropropanamide
CID 55288492
N,N,N~3~-Trimethyl-beta-alaninamide
CID 19957299

Frequently Asked Questions

What is the IUPAC name of dimethyl(propanoyl)azanium?
The IUPAC name of dimethyl(propanoyl)azanium (CID 102258414) is dimethyl(propanoyl)azanium.
What is the SMILES notation for dimethyl(propanoyl)azanium?
The canonical SMILES for dimethyl(propanoyl)azanium is CCC(=O)[NH+](C)C.
What is the InChIKey of dimethyl(propanoyl)azanium?
The InChIKey is MBHINSULENHCMF-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H11NO/c1-4-5(7)6(2)3/h4H2,1-3H3/p+1.
What are the key properties of dimethyl(propanoyl)azanium?
dimethyl(propanoyl)azanium has a molecular weight of 102.16 g/mol, XLogP of -0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl(propanoyl)azanium is sourced from PubChem (CID 102258414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).