acetamidomethyl-ethyl-dimethylazanium

C7H17N2O+ — CID 18335916

IUPACacetamidomethyl-ethyl-dimethylazanium
SMILESCC[N+](C)(C)CNC(C)=O
InChIInChI=1S/C7H16N2O/c1-5-9(3,4)6-8-7(2)10/h5-6H2,1-4H3/p+1
InChIKeyGZYDZIJLFUCWRF-UHFFFAOYSA-O
MW145.23 g/mol
LogP0.18
Rot. Bonds3

About acetamidomethyl-ethyl-dimethylazanium

acetamidomethyl-ethyl-dimethylazanium (PubChem CID 18335916) has the molecular formula C7H17N2O+ and a molecular weight of 145.23 g/mol. Its IUPAC name is acetamidomethyl-ethyl-dimethylazanium.

Molecular Properties

Compound Nameacetamidomethyl-ethyl-dimethylazanium
PubChem CID18335916
Molecular FormulaC7H17N2O+
Molecular Weight145.23 g/mol
Exact Mass145.13
IUPAC Nameacetamidomethyl-ethyl-dimethylazanium
SMILESCC[N+](C)(C)CNC(C)=O
InChIInChI=1S/C7H16N2O/c1-5-9(3,4)6-8-7(2)10/h5-6H2,1-4H3/p+1
InChIKeyGZYDZIJLFUCWRF-UHFFFAOYSA-O
XLogP0.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.23
LogP ≤ 50.18
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-ethyl-dimethylazanium?
The IUPAC name of acetamidomethyl-ethyl-dimethylazanium (CID 18335916) is acetamidomethyl-ethyl-dimethylazanium.
What is the SMILES notation for acetamidomethyl-ethyl-dimethylazanium?
The canonical SMILES for acetamidomethyl-ethyl-dimethylazanium is CC[N+](C)(C)CNC(C)=O.
What is the InChIKey of acetamidomethyl-ethyl-dimethylazanium?
The InChIKey is GZYDZIJLFUCWRF-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H16N2O/c1-5-9(3,4)6-8-7(2)10/h5-6H2,1-4H3/p+1.
What are the key properties of acetamidomethyl-ethyl-dimethylazanium?
acetamidomethyl-ethyl-dimethylazanium has a molecular weight of 145.23 g/mol, XLogP of 0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetamidomethyl-ethyl-dimethylazanium is sourced from PubChem (CID 18335916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).