trimethyl(methylcarbamoyl)azanium

C5H13N2O+ — CID 19019076

IUPACtrimethyl(methylcarbamoyl)azanium
SMILESCNC(=O)[N+](C)(C)C
InChIInChI=1S/C5H12N2O/c1-6-5(8)7(2,3)4/h1-4H3/p+1
InChIKeyKDDYAVQFHQWWCQ-UHFFFAOYSA-O
MW117.17 g/mol
LogP0.03
Rot. Bonds

About trimethyl(methylcarbamoyl)azanium

trimethyl(methylcarbamoyl)azanium (PubChem CID 19019076) has the molecular formula C5H13N2O+ and a molecular weight of 117.17 g/mol. Its IUPAC name is trimethyl(methylcarbamoyl)azanium.

Molecular Properties

Compound Nametrimethyl(methylcarbamoyl)azanium
PubChem CID19019076
Molecular FormulaC5H13N2O+
Molecular Weight117.17 g/mol
Exact Mass117.10
IUPAC Nametrimethyl(methylcarbamoyl)azanium
SMILESCNC(=O)[N+](C)(C)C
InChIInChI=1S/C5H12N2O/c1-6-5(8)7(2,3)4/h1-4H3/p+1
InChIKeyKDDYAVQFHQWWCQ-UHFFFAOYSA-O
XLogP0.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.17
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl(methylcarbamoyl)azanium?
The IUPAC name of trimethyl(methylcarbamoyl)azanium (CID 19019076) is trimethyl(methylcarbamoyl)azanium.
What is the SMILES notation for trimethyl(methylcarbamoyl)azanium?
The canonical SMILES for trimethyl(methylcarbamoyl)azanium is CNC(=O)[N+](C)(C)C.
What is the InChIKey of trimethyl(methylcarbamoyl)azanium?
The InChIKey is KDDYAVQFHQWWCQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H12N2O/c1-6-5(8)7(2,3)4/h1-4H3/p+1.
What are the key properties of trimethyl(methylcarbamoyl)azanium?
trimethyl(methylcarbamoyl)azanium has a molecular weight of 117.17 g/mol, XLogP of 0.03, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(methylcarbamoyl)azanium is sourced from PubChem (CID 19019076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).