ethyl-dimethyl-[2-(2-methylprop-2-enoxy)ethyl]azanium

C10H22NO+ — CID 87264784

IUPACethyl-dimethyl-[2-(2-methylprop-2-enoxy)ethyl]azanium
SMILESC=C(C)COCC[N+](C)(C)CC
InChIInChI=1S/C10H22NO/c1-6-11(4,5)7-8-12-9-10(2)3/h2,6-9H2,1,3-5H3/q+1
InChIKeyFBXVWSLTLLPQAK-UHFFFAOYSA-N
MW172.29 g/mol
LogP1.68
Rot. Bonds6

About ethyl-dimethyl-[2-(2-methylprop-2-enoxy)ethyl]azanium

ethyl-dimethyl-[2-(2-methylprop-2-enoxy)ethyl]azanium (PubChem CID 87264784) has the molecular formula C10H22NO+ and a molecular weight of 172.29 g/mol. Its IUPAC name is ethyl-dimethyl-[2-(2-methylprop-2-enoxy)ethyl]azanium.

Molecular Properties

Compound Nameethyl-dimethyl-[2-(2-methylprop-2-enoxy)ethyl]azanium
PubChem CID87264784
Molecular FormulaC10H22NO+
Molecular Weight172.29 g/mol
Exact Mass172.17
IUPAC Nameethyl-dimethyl-[2-(2-methylprop-2-enoxy)ethyl]azanium
SMILESC=C(C)COCC[N+](C)(C)CC
InChIInChI=1S/C10H22NO/c1-6-11(4,5)7-8-12-9-10(2)3/h2,6-9H2,1,3-5H3/q+1
InChIKeyFBXVWSLTLLPQAK-UHFFFAOYSA-N
XLogP1.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.29
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl-dimethyl-[2-(2-methylprop-2-enoxy)ethyl]azanium?
The IUPAC name of ethyl-dimethyl-[2-(2-methylprop-2-enoxy)ethyl]azanium (CID 87264784) is ethyl-dimethyl-[2-(2-methylprop-2-enoxy)ethyl]azanium.
What is the SMILES notation for ethyl-dimethyl-[2-(2-methylprop-2-enoxy)ethyl]azanium?
The canonical SMILES for ethyl-dimethyl-[2-(2-methylprop-2-enoxy)ethyl]azanium is C=C(C)COCC[N+](C)(C)CC.
What is the InChIKey of ethyl-dimethyl-[2-(2-methylprop-2-enoxy)ethyl]azanium?
The InChIKey is FBXVWSLTLLPQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22NO/c1-6-11(4,5)7-8-12-9-10(2)3/h2,6-9H2,1,3-5H3/q+1.
What are the key properties of ethyl-dimethyl-[2-(2-methylprop-2-enoxy)ethyl]azanium?
ethyl-dimethyl-[2-(2-methylprop-2-enoxy)ethyl]azanium has a molecular weight of 172.29 g/mol, XLogP of 1.68, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-dimethyl-[2-(2-methylprop-2-enoxy)ethyl]azanium is sourced from PubChem (CID 87264784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).