dimethyl-[[methyl(propanoyl)amino]methyl]-[(trimethylazaniumyl)methyl]azanium

C11H27N3O+2 — CID 54015414

IUPACdimethyl-[[methyl(propanoyl)amino]methyl]-[(trimethylazaniumyl)methyl]azanium
SMILESCCC(=O)N(C)C[N+](C)(C)C[N+](C)(C)C
InChIInChI=1S/C11H27N3O/c1-8-11(15)12(2)9-14(6,7)10-13(3,4)5/h8-10H2,1-7H3/q+2
InChIKeyXHGYLPKNWOGBDU-UHFFFAOYSA-N
MW217.36 g/mol
LogP0.55
Rot. Bonds5

About dimethyl-[[methyl(propanoyl)amino]methyl]-[(trimethylazaniumyl)methyl]azanium

dimethyl-[[methyl(propanoyl)amino]methyl]-[(trimethylazaniumyl)methyl]azanium (PubChem CID 54015414) has the molecular formula C11H27N3O+2 and a molecular weight of 217.36 g/mol. Its IUPAC name is dimethyl-[[methyl(propanoyl)amino]methyl]-[(trimethylazaniumyl)methyl]azanium.

Molecular Properties

Compound Namedimethyl-[[methyl(propanoyl)amino]methyl]-[(trimethylazaniumyl)methyl]azanium
PubChem CID54015414
Molecular FormulaC11H27N3O+2
Molecular Weight217.36 g/mol
Exact Mass217.21
IUPAC Namedimethyl-[[methyl(propanoyl)amino]methyl]-[(trimethylazaniumyl)methyl]azanium
SMILESCCC(=O)N(C)C[N+](C)(C)C[N+](C)(C)C
InChIInChI=1S/C11H27N3O/c1-8-11(15)12(2)9-14(6,7)10-13(3,4)5/h8-10H2,1-7H3/q+2
InChIKeyXHGYLPKNWOGBDU-UHFFFAOYSA-N
XLogP0.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze dimethyl-[[methyl(propanoyl)amino]methyl]-[(trimethylazaniumyl)methyl]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

Hexahydro-1,3,5-tripropionyl-s-triazine
CID 35506
N-[(dimethylamino)methyl]-N-methylacetamide
CID 12719367
Molecular hydrogen;1-(5-propanoyl-3-propanoyl-1,3,5-triazinan-1-yl)propan-1-one
CID 155487806
1-[3,5-Di(butanoyl)-1,3,5-triazinan-1-yl]butan-1-one
CID 13636267
N-[(dimethylamino)methyl]-N,2,2-trimethylbutanamide
CID 20588097
N-[(dimethylamino)methyl]-N-methylpentanamide
CID 20652492
Trimethyl-[[methyl(pentanoyl)amino]methyl]azanium
CID 20652493
N-[[methyl(propanoyl)amino]methyl]propanamide
CID 20671552
N-(isocyanomethyl)-N-methylpropanamide
CID 21031067
1-(3,5-Diacetyl-1,3,5-triazinan-1-yl)propan-1-one
CID 21133438
N-methyl-N-[[methyl(propan-2-yl)amino]methyl]acetamide
CID 21336479
N'-[[[3-(dimethylamino)-3-oxopropanoyl]-methylamino]methyl]-N,N,N'-trimethylpropanediamide
CID 22889127

Frequently Asked Questions

What is the IUPAC name of dimethyl-[[methyl(propanoyl)amino]methyl]-[(trimethylazaniumyl)methyl]azanium?
The IUPAC name of dimethyl-[[methyl(propanoyl)amino]methyl]-[(trimethylazaniumyl)methyl]azanium (CID 54015414) is dimethyl-[[methyl(propanoyl)amino]methyl]-[(trimethylazaniumyl)methyl]azanium.
What is the SMILES notation for dimethyl-[[methyl(propanoyl)amino]methyl]-[(trimethylazaniumyl)methyl]azanium?
The canonical SMILES for dimethyl-[[methyl(propanoyl)amino]methyl]-[(trimethylazaniumyl)methyl]azanium is CCC(=O)N(C)C[N+](C)(C)C[N+](C)(C)C.
What is the InChIKey of dimethyl-[[methyl(propanoyl)amino]methyl]-[(trimethylazaniumyl)methyl]azanium?
The InChIKey is XHGYLPKNWOGBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H27N3O/c1-8-11(15)12(2)9-14(6,7)10-13(3,4)5/h8-10H2,1-7H3/q+2.
What are the key properties of dimethyl-[[methyl(propanoyl)amino]methyl]-[(trimethylazaniumyl)methyl]azanium?
dimethyl-[[methyl(propanoyl)amino]methyl]-[(trimethylazaniumyl)methyl]azanium has a molecular weight of 217.36 g/mol, XLogP of 0.55, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[[methyl(propanoyl)amino]methyl]-[(trimethylazaniumyl)methyl]azanium is sourced from PubChem (CID 54015414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).