methane;2-methylbutanamide;trimethyl(2-methylbutanoyloxymethyl)azanium

C18H47N2O3+ — CID 160768810

IUPACmethane;2-methylbutanamide;trimethyl(2-methylbutanoyloxymethyl)azanium
SMILESC.C.C.C.CCC(C)C(=O)OC[N+](C)(C)C.CCC(C)C(N)=O
InChIInChI=1S/C9H20NO2.C5H11NO.4CH4/c1-6-8(2)9(11)12-7-10(3,4)5;1-3-4(2)5(6)7;;;;/h8H,6-7H2,1-5H3;4H,3H2,1-2H3,(H2,6,7);4*1H4/q+1;;;;;
InChIKeyRZAPTUQSJKNVLX-UHFFFAOYSA-N
MW339.59 g/mol
LogP4.30
Rot. Bonds6

About methane;2-methylbutanamide;trimethyl(2-methylbutanoyloxymethyl)azanium

methane;2-methylbutanamide;trimethyl(2-methylbutanoyloxymethyl)azanium (PubChem CID 160768810) has the molecular formula C18H47N2O3+ and a molecular weight of 339.59 g/mol. Its IUPAC name is methane;2-methylbutanamide;trimethyl(2-methylbutanoyloxymethyl)azanium.

Molecular Properties

Compound Namemethane;2-methylbutanamide;trimethyl(2-methylbutanoyloxymethyl)azanium
PubChem CID160768810
Molecular FormulaC18H47N2O3+
Molecular Weight339.59 g/mol
Exact Mass339.36
IUPAC Namemethane;2-methylbutanamide;trimethyl(2-methylbutanoyloxymethyl)azanium
SMILESC.C.C.C.CCC(C)C(=O)OC[N+](C)(C)C.CCC(C)C(N)=O
InChIInChI=1S/C9H20NO2.C5H11NO.4CH4/c1-6-8(2)9(11)12-7-10(3,4)5;1-3-4(2)5(6)7;;;;/h8H,6-7H2,1-5H3;4H,3H2,1-2H3,(H2,6,7);4*1H4/q+1;;;;;
InChIKeyRZAPTUQSJKNVLX-UHFFFAOYSA-N
XLogP4.30
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.59
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 methane;2-methylbutanamide;trimethyl(2-methylbutanoyloxymethyl)azanium with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methane;2-methylbutanamide;trimethyl(2-methylbutanoyloxymethyl)azanium?
The IUPAC name of methane;2-methylbutanamide;trimethyl(2-methylbutanoyloxymethyl)azanium (CID 160768810) is methane;2-methylbutanamide;trimethyl(2-methylbutanoyloxymethyl)azanium.
What is the SMILES notation for methane;2-methylbutanamide;trimethyl(2-methylbutanoyloxymethyl)azanium?
The canonical SMILES for methane;2-methylbutanamide;trimethyl(2-methylbutanoyloxymethyl)azanium is C.C.C.C.CCC(C)C(=O)OC[N+](C)(C)C.CCC(C)C(N)=O.
What is the InChIKey of methane;2-methylbutanamide;trimethyl(2-methylbutanoyloxymethyl)azanium?
The InChIKey is RZAPTUQSJKNVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20NO2.C5H11NO.4CH4/c1-6-8(2)9(11)12-7-10(3,4)5;1-3-4(2)5(6)7;;;;/h8H,6-7H2,1-5H3;4H,3H2,1-2H3,(H2,6,7);4*1H4/q+1;;;;;.
What are the key properties of methane;2-methylbutanamide;trimethyl(2-methylbutanoyloxymethyl)azanium?
methane;2-methylbutanamide;trimethyl(2-methylbutanoyloxymethyl)azanium has a molecular weight of 339.59 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-methylbutanamide;trimethyl(2-methylbutanoyloxymethyl)azanium is sourced from PubChem (CID 160768810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).