trimethyl-[[[3-oxo-3-[(trimethylazaniumyl)methylamino]propanoyl]amino]methyl]azanium

C11H26N4O2+2 — CID 18730446

IUPACtrimethyl-[[[3-oxo-3-[(trimethylazaniumyl)methylamino]propanoyl]amino]methyl]azanium
SMILESC[N+](C)(C)CNC(=O)CC(=O)NC[N+](C)(C)C
InChIInChI=1S/C11H24N4O2/c1-14(2,3)8-12-10(16)7-11(17)13-9-15(4,5)6/h7-9H2,1-6H3/p+2
InChIKeyWSMBKKRYTHXSGB-UHFFFAOYSA-P
MW246.35 g/mol
LogP-1.06
Rot. Bonds6

About trimethyl-[[[3-oxo-3-[(trimethylazaniumyl)methylamino]propanoyl]amino]methyl]azanium

trimethyl-[[[3-oxo-3-[(trimethylazaniumyl)methylamino]propanoyl]amino]methyl]azanium (PubChem CID 18730446) has the molecular formula C11H26N4O2+2 and a molecular weight of 246.35 g/mol. Its IUPAC name is trimethyl-[[[3-oxo-3-[(trimethylazaniumyl)methylamino]propanoyl]amino]methyl]azanium.

Molecular Properties

Compound Nametrimethyl-[[[3-oxo-3-[(trimethylazaniumyl)methylamino]propanoyl]amino]methyl]azanium
PubChem CID18730446
Molecular FormulaC11H26N4O2+2
Molecular Weight246.35 g/mol
Exact Mass246.20
IUPAC Nametrimethyl-[[[3-oxo-3-[(trimethylazaniumyl)methylamino]propanoyl]amino]methyl]azanium
SMILESC[N+](C)(C)CNC(=O)CC(=O)NC[N+](C)(C)C
InChIInChI=1S/C11H24N4O2/c1-14(2,3)8-12-10(16)7-11(17)13-9-15(4,5)6/h7-9H2,1-6H3/p+2
InChIKeyWSMBKKRYTHXSGB-UHFFFAOYSA-P
XLogP-1.06
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 5-1.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[[5-(dimethylamino)-3-oxopentanoyl]amino]methyl-trimethylazanium
CID 20663379
methane;trimethyl-[(prop-2-enoylamino)methyl]azanium;hydrochloride
CID 161490642
[(dimethylamino)methylcarbamoylamino]methyl-trimethylazanium
CID 20663377
N,N'-diethylpropanediamide
CID 4600245
[[2-[2-(2-aminoethylamino)ethylimino]acetyl]amino]methyl-trimethylazanium
CID 173273785
N-ethyl-N'-(ethylaminomethyl)propanediamide
CID 20685111
N'-ethyl-N-methylpropanediamide;methane
CID 158978281
dimethyl-bis[(oct-7-enoylamino)methyl]azanium
CID 102117908
trimethyl-[11-oxo-11-(2-sulfanylethylamino)undecyl]azanium
CID 101009162
2-(butanoylamino)ethyl-trimethylazanium iodide
CID 71365310
N-butyl-N'-pentylpropanediamide
CID 89202031
N-(2-hydroxyethyl)-N'-(2-sulfanylethyl)propanediamide
CID 19607288

Frequently Asked Questions

What is the IUPAC name of trimethyl-[[[3-oxo-3-[(trimethylazaniumyl)methylamino]propanoyl]amino]methyl]azanium?
The IUPAC name of trimethyl-[[[3-oxo-3-[(trimethylazaniumyl)methylamino]propanoyl]amino]methyl]azanium (CID 18730446) is trimethyl-[[[3-oxo-3-[(trimethylazaniumyl)methylamino]propanoyl]amino]methyl]azanium.
What is the SMILES notation for trimethyl-[[[3-oxo-3-[(trimethylazaniumyl)methylamino]propanoyl]amino]methyl]azanium?
The canonical SMILES for trimethyl-[[[3-oxo-3-[(trimethylazaniumyl)methylamino]propanoyl]amino]methyl]azanium is C[N+](C)(C)CNC(=O)CC(=O)NC[N+](C)(C)C.
What is the InChIKey of trimethyl-[[[3-oxo-3-[(trimethylazaniumyl)methylamino]propanoyl]amino]methyl]azanium?
The InChIKey is WSMBKKRYTHXSGB-UHFFFAOYSA-P. The full InChI is InChI=1S/C11H24N4O2/c1-14(2,3)8-12-10(16)7-11(17)13-9-15(4,5)6/h7-9H2,1-6H3/p+2.
What are the key properties of trimethyl-[[[3-oxo-3-[(trimethylazaniumyl)methylamino]propanoyl]amino]methyl]azanium?
trimethyl-[[[3-oxo-3-[(trimethylazaniumyl)methylamino]propanoyl]amino]methyl]azanium has a molecular weight of 246.35 g/mol, XLogP of -1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[[[3-oxo-3-[(trimethylazaniumyl)methylamino]propanoyl]amino]methyl]azanium is sourced from PubChem (CID 18730446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).