[1-(dimethylamino)-2-methoxyethenyl]-dimethylazanium

C7H17N2O+ — CID 58335312

IUPAC[1-(dimethylamino)-2-methoxyethenyl]-dimethylazanium
SMILESCOC=C(N(C)C)[NH+](C)C
InChIInChI=1S/C7H16N2O/c1-8(2)7(6-10-5)9(3)4/h6H,1-5H3/p+1
InChIKeyACTPLIATKLZZMN-UHFFFAOYSA-O
MW145.23 g/mol
LogP-0.86
Rot. Bonds3

About [1-(dimethylamino)-2-methoxyethenyl]-dimethylazanium

[1-(dimethylamino)-2-methoxyethenyl]-dimethylazanium (PubChem CID 58335312) has the molecular formula C7H17N2O+ and a molecular weight of 145.23 g/mol. Its IUPAC name is [1-(dimethylamino)-2-methoxyethenyl]-dimethylazanium.

Molecular Properties

Compound Name[1-(dimethylamino)-2-methoxyethenyl]-dimethylazanium
PubChem CID58335312
Molecular FormulaC7H17N2O+
Molecular Weight145.23 g/mol
Exact Mass145.13
IUPAC Name[1-(dimethylamino)-2-methoxyethenyl]-dimethylazanium
SMILESCOC=C(N(C)C)[NH+](C)C
InChIInChI=1S/C7H16N2O/c1-8(2)7(6-10-5)9(3)4/h6H,1-5H3/p+1
InChIKeyACTPLIATKLZZMN-UHFFFAOYSA-O
XLogP-0.86
TPSA16.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.23
LogP ≤ 5-0.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-(dimethylamino)-2-methoxyethenyl]-dimethylazanium?
The IUPAC name of [1-(dimethylamino)-2-methoxyethenyl]-dimethylazanium (CID 58335312) is [1-(dimethylamino)-2-methoxyethenyl]-dimethylazanium.
What is the SMILES notation for [1-(dimethylamino)-2-methoxyethenyl]-dimethylazanium?
The canonical SMILES for [1-(dimethylamino)-2-methoxyethenyl]-dimethylazanium is COC=C(N(C)C)[NH+](C)C.
What is the InChIKey of [1-(dimethylamino)-2-methoxyethenyl]-dimethylazanium?
The InChIKey is ACTPLIATKLZZMN-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H16N2O/c1-8(2)7(6-10-5)9(3)4/h6H,1-5H3/p+1.
What are the key properties of [1-(dimethylamino)-2-methoxyethenyl]-dimethylazanium?
[1-(dimethylamino)-2-methoxyethenyl]-dimethylazanium has a molecular weight of 145.23 g/mol, XLogP of -0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(dimethylamino)-2-methoxyethenyl]-dimethylazanium is sourced from PubChem (CID 58335312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).