acetamidomethyl(trimethyl)azanium

C6H15N2O+ — CID 18711576

IUPACacetamidomethyl(trimethyl)azanium
SMILESCC(=O)NC[N+](C)(C)C
InChIInChI=1S/C6H14N2O/c1-6(9)7-5-8(2,3)4/h5H2,1-4H3/p+1
InChIKeyOXMGNVPCXOCXRR-UHFFFAOYSA-O
MW131.20 g/mol
LogP-0.21
Rot. Bonds2

About acetamidomethyl(trimethyl)azanium

acetamidomethyl(trimethyl)azanium (PubChem CID 18711576) has the molecular formula C6H15N2O+ and a molecular weight of 131.20 g/mol. Its IUPAC name is acetamidomethyl(trimethyl)azanium.

Molecular Properties

Compound Nameacetamidomethyl(trimethyl)azanium
PubChem CID18711576
Molecular FormulaC6H15N2O+
Molecular Weight131.20 g/mol
Exact Mass131.12
IUPAC Nameacetamidomethyl(trimethyl)azanium
SMILESCC(=O)NC[N+](C)(C)C
InChIInChI=1S/C6H14N2O/c1-6(9)7-5-8(2,3)4/h5H2,1-4H3/p+1
InChIKeyOXMGNVPCXOCXRR-UHFFFAOYSA-O
XLogP-0.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.20
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
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 acetamidomethyl(trimethyl)azanium?
The IUPAC name of acetamidomethyl(trimethyl)azanium (CID 18711576) is acetamidomethyl(trimethyl)azanium.
What is the SMILES notation for acetamidomethyl(trimethyl)azanium?
The canonical SMILES for acetamidomethyl(trimethyl)azanium is CC(=O)NC[N+](C)(C)C.
What is the InChIKey of acetamidomethyl(trimethyl)azanium?
The InChIKey is OXMGNVPCXOCXRR-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H14N2O/c1-6(9)7-5-8(2,3)4/h5H2,1-4H3/p+1.
What are the key properties of acetamidomethyl(trimethyl)azanium?
acetamidomethyl(trimethyl)azanium has a molecular weight of 131.20 g/mol, XLogP of -0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetamidomethyl(trimethyl)azanium is sourced from PubChem (CID 18711576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).