[2-(dimethylamino)-2-oxoethyl]-[6-[[2-(dimethylamino)-2-oxoethyl]-dimethylazaniumyl]hexyl]-dimethylazanium

C18H40N4O2+2 — CID 24833334

IUPAC[2-(dimethylamino)-2-oxoethyl]-[6-[[2-(dimethylamino)-2-oxoethyl]-dimethylazaniumyl]hexyl]-dimethylazanium
SMILESCN(C)C(=O)C[N+](C)(C)CCCCCC[N+](C)(C)CC(=O)N(C)C
InChIInChI=1S/C18H40N4O2/c1-19(2)17(23)15-21(5,6)13-11-9-10-12-14-22(7,8)16-18(24)20(3)4/h9-16H2,1-8H3/q+2
InChIKeyPVTROPAMOMMAJB-UHFFFAOYSA-N
MW344.54 g/mol
LogP0.88
Rot. Bonds11

About [2-(dimethylamino)-2-oxoethyl]-[6-[[2-(dimethylamino)-2-oxoethyl]-dimethylazaniumyl]hexyl]-dimethylazanium

[2-(dimethylamino)-2-oxoethyl]-[6-[[2-(dimethylamino)-2-oxoethyl]-dimethylazaniumyl]hexyl]-dimethylazanium (PubChem CID 24833334) has the molecular formula C18H40N4O2+2 and a molecular weight of 344.54 g/mol. Its IUPAC name is [2-(dimethylamino)-2-oxoethyl]-[6-[[2-(dimethylamino)-2-oxoethyl]-dimethylazaniumyl]hexyl]-dimethylazanium.

Molecular Properties

Compound Name[2-(dimethylamino)-2-oxoethyl]-[6-[[2-(dimethylamino)-2-oxoethyl]-dimethylazaniumyl]hexyl]-dimethylazanium
PubChem CID24833334
Molecular FormulaC18H40N4O2+2
Molecular Weight344.54 g/mol
Exact Mass344.31
IUPAC Name[2-(dimethylamino)-2-oxoethyl]-[6-[[2-(dimethylamino)-2-oxoethyl]-dimethylazaniumyl]hexyl]-dimethylazanium
SMILESCN(C)C(=O)C[N+](C)(C)CCCCCC[N+](C)(C)CC(=O)N(C)C
InChIInChI=1S/C18H40N4O2/c1-19(2)17(23)15-21(5,6)13-11-9-10-12-14-22(7,8)16-18(24)20(3)4/h9-16H2,1-8H3/q+2
InChIKeyPVTROPAMOMMAJB-UHFFFAOYSA-N
XLogP0.88
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.54
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)-2-oxoethyl]-[6-[[2-(dimethylamino)-2-oxoethyl]-dimethylazaniumyl]hexyl]-dimethylazanium?
The IUPAC name of [2-(dimethylamino)-2-oxoethyl]-[6-[[2-(dimethylamino)-2-oxoethyl]-dimethylazaniumyl]hexyl]-dimethylazanium (CID 24833334) is [2-(dimethylamino)-2-oxoethyl]-[6-[[2-(dimethylamino)-2-oxoethyl]-dimethylazaniumyl]hexyl]-dimethylazanium.
What is the SMILES notation for [2-(dimethylamino)-2-oxoethyl]-[6-[[2-(dimethylamino)-2-oxoethyl]-dimethylazaniumyl]hexyl]-dimethylazanium?
The canonical SMILES for [2-(dimethylamino)-2-oxoethyl]-[6-[[2-(dimethylamino)-2-oxoethyl]-dimethylazaniumyl]hexyl]-dimethylazanium is CN(C)C(=O)C[N+](C)(C)CCCCCC[N+](C)(C)CC(=O)N(C)C.
What is the InChIKey of [2-(dimethylamino)-2-oxoethyl]-[6-[[2-(dimethylamino)-2-oxoethyl]-dimethylazaniumyl]hexyl]-dimethylazanium?
The InChIKey is PVTROPAMOMMAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40N4O2/c1-19(2)17(23)15-21(5,6)13-11-9-10-12-14-22(7,8)16-18(24)20(3)4/h9-16H2,1-8H3/q+2.
What are the key properties of [2-(dimethylamino)-2-oxoethyl]-[6-[[2-(dimethylamino)-2-oxoethyl]-dimethylazaniumyl]hexyl]-dimethylazanium?
[2-(dimethylamino)-2-oxoethyl]-[6-[[2-(dimethylamino)-2-oxoethyl]-dimethylazaniumyl]hexyl]-dimethylazanium has a molecular weight of 344.54 g/mol, XLogP of 0.88, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)-2-oxoethyl]-[6-[[2-(dimethylamino)-2-oxoethyl]-dimethylazaniumyl]hexyl]-dimethylazanium is sourced from PubChem (CID 24833334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).