trimethyl-[(methylcarbamoylamino)methyl]azanium

C6H16N3O+ — CID 21365396

IUPACtrimethyl-[(methylcarbamoylamino)methyl]azanium
SMILESCNC(=O)NC[N+](C)(C)C
InChIInChI=1S/C6H15N3O/c1-7-6(10)8-5-9(2,3)4/h5H2,1-4H3,(H-,7,8,10)/p+1
InChIKeyQTOKDFKVAXFLOO-UHFFFAOYSA-O
MW146.21 g/mol
LogP-0.42
Rot. Bonds2

About trimethyl-[(methylcarbamoylamino)methyl]azanium

trimethyl-[(methylcarbamoylamino)methyl]azanium (PubChem CID 21365396) has the molecular formula C6H16N3O+ and a molecular weight of 146.21 g/mol. Its IUPAC name is trimethyl-[(methylcarbamoylamino)methyl]azanium.

Molecular Properties

Compound Nametrimethyl-[(methylcarbamoylamino)methyl]azanium
PubChem CID21365396
Molecular FormulaC6H16N3O+
Molecular Weight146.21 g/mol
Exact Mass146.13
IUPAC Nametrimethyl-[(methylcarbamoylamino)methyl]azanium
SMILESCNC(=O)NC[N+](C)(C)C
InChIInChI=1S/C6H15N3O/c1-7-6(10)8-5-9(2,3)4/h5H2,1-4H3,(H-,7,8,10)/p+1
InChIKeyQTOKDFKVAXFLOO-UHFFFAOYSA-O
XLogP-0.42
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.21
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
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'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[(methylcarbamoylamino)methyl]azanium?
The IUPAC name of trimethyl-[(methylcarbamoylamino)methyl]azanium (CID 21365396) is trimethyl-[(methylcarbamoylamino)methyl]azanium.
What is the SMILES notation for trimethyl-[(methylcarbamoylamino)methyl]azanium?
The canonical SMILES for trimethyl-[(methylcarbamoylamino)methyl]azanium is CNC(=O)NC[N+](C)(C)C.
What is the InChIKey of trimethyl-[(methylcarbamoylamino)methyl]azanium?
The InChIKey is QTOKDFKVAXFLOO-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H15N3O/c1-7-6(10)8-5-9(2,3)4/h5H2,1-4H3,(H-,7,8,10)/p+1.
What are the key properties of trimethyl-[(methylcarbamoylamino)methyl]azanium?
trimethyl-[(methylcarbamoylamino)methyl]azanium has a molecular weight of 146.21 g/mol, XLogP of -0.42, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(methylcarbamoylamino)methyl]azanium is sourced from PubChem (CID 21365396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).