dimethyl-(2-propoxyethyl)-[2-(trimethylazaniumyl)ethyl]azanium

C12H30N2O+2 — CID 21057636

IUPACdimethyl-(2-propoxyethyl)-[2-(trimethylazaniumyl)ethyl]azanium
SMILESCCCOCC[N+](C)(C)CC[N+](C)(C)C
InChIInChI=1S/C12H30N2O/c1-7-11-15-12-10-14(5,6)9-8-13(2,3)4/h7-12H2,1-6H3/q+2
InChIKeyDNFRPNRYYALAAE-UHFFFAOYSA-N
MW218.38 g/mol
LogP1.20
Rot. Bonds8

About dimethyl-(2-propoxyethyl)-[2-(trimethylazaniumyl)ethyl]azanium

dimethyl-(2-propoxyethyl)-[2-(trimethylazaniumyl)ethyl]azanium (PubChem CID 21057636) has the molecular formula C12H30N2O+2 and a molecular weight of 218.38 g/mol. Its IUPAC name is dimethyl-(2-propoxyethyl)-[2-(trimethylazaniumyl)ethyl]azanium.

Molecular Properties

Compound Namedimethyl-(2-propoxyethyl)-[2-(trimethylazaniumyl)ethyl]azanium
PubChem CID21057636
Molecular FormulaC12H30N2O+2
Molecular Weight218.38 g/mol
Exact Mass218.23
IUPAC Namedimethyl-(2-propoxyethyl)-[2-(trimethylazaniumyl)ethyl]azanium
SMILESCCCOCC[N+](C)(C)CC[N+](C)(C)C
InChIInChI=1S/C12H30N2O/c1-7-11-15-12-10-14(5,6)9-8-13(2,3)4/h7-12H2,1-6H3/q+2
InChIKeyDNFRPNRYYALAAE-UHFFFAOYSA-N
XLogP1.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.38
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 dimethyl-(2-propoxyethyl)-[2-(trimethylazaniumyl)ethyl]azanium?
The IUPAC name of dimethyl-(2-propoxyethyl)-[2-(trimethylazaniumyl)ethyl]azanium (CID 21057636) is dimethyl-(2-propoxyethyl)-[2-(trimethylazaniumyl)ethyl]azanium.
What is the SMILES notation for dimethyl-(2-propoxyethyl)-[2-(trimethylazaniumyl)ethyl]azanium?
The canonical SMILES for dimethyl-(2-propoxyethyl)-[2-(trimethylazaniumyl)ethyl]azanium is CCCOCC[N+](C)(C)CC[N+](C)(C)C.
What is the InChIKey of dimethyl-(2-propoxyethyl)-[2-(trimethylazaniumyl)ethyl]azanium?
The InChIKey is DNFRPNRYYALAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H30N2O/c1-7-11-15-12-10-14(5,6)9-8-13(2,3)4/h7-12H2,1-6H3/q+2.
What are the key properties of dimethyl-(2-propoxyethyl)-[2-(trimethylazaniumyl)ethyl]azanium?
dimethyl-(2-propoxyethyl)-[2-(trimethylazaniumyl)ethyl]azanium has a molecular weight of 218.38 g/mol, XLogP of 1.20, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(2-propoxyethyl)-[2-(trimethylazaniumyl)ethyl]azanium is sourced from PubChem (CID 21057636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).