diethyl-methyl-(2-methyl-2-prop-2-enoxypropyl)azanium

C12H26NO+ — CID 145267662

IUPACdiethyl-methyl-(2-methyl-2-prop-2-enoxypropyl)azanium
SMILESC=CCOC(C)(C)C[N+](C)(CC)CC
InChIInChI=1S/C12H26NO/c1-7-10-14-12(4,5)11-13(6,8-2)9-3/h7H,1,8-11H2,2-6H3/q+1
InChIKeyHGYOJNDNNVGHGD-UHFFFAOYSA-N
MW200.35 g/mol
LogP2.45
Rot. Bonds7

About diethyl-methyl-(2-methyl-2-prop-2-enoxypropyl)azanium

diethyl-methyl-(2-methyl-2-prop-2-enoxypropyl)azanium (PubChem CID 145267662) has the molecular formula C12H26NO+ and a molecular weight of 200.35 g/mol. Its IUPAC name is diethyl-methyl-(2-methyl-2-prop-2-enoxypropyl)azanium.

Molecular Properties

Compound Namediethyl-methyl-(2-methyl-2-prop-2-enoxypropyl)azanium
PubChem CID145267662
Molecular FormulaC12H26NO+
Molecular Weight200.35 g/mol
Exact Mass200.20
IUPAC Namediethyl-methyl-(2-methyl-2-prop-2-enoxypropyl)azanium
SMILESC=CCOC(C)(C)C[N+](C)(CC)CC
InChIInChI=1S/C12H26NO/c1-7-10-14-12(4,5)11-13(6,8-2)9-3/h7H,1,8-11H2,2-6H3/q+1
InChIKeyHGYOJNDNNVGHGD-UHFFFAOYSA-N
XLogP2.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 diethyl-methyl-(2-methyl-2-prop-2-enoxypropyl)azanium?
The IUPAC name of diethyl-methyl-(2-methyl-2-prop-2-enoxypropyl)azanium (CID 145267662) is diethyl-methyl-(2-methyl-2-prop-2-enoxypropyl)azanium.
What is the SMILES notation for diethyl-methyl-(2-methyl-2-prop-2-enoxypropyl)azanium?
The canonical SMILES for diethyl-methyl-(2-methyl-2-prop-2-enoxypropyl)azanium is C=CCOC(C)(C)C[N+](C)(CC)CC.
What is the InChIKey of diethyl-methyl-(2-methyl-2-prop-2-enoxypropyl)azanium?
The InChIKey is HGYOJNDNNVGHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26NO/c1-7-10-14-12(4,5)11-13(6,8-2)9-3/h7H,1,8-11H2,2-6H3/q+1.
What are the key properties of diethyl-methyl-(2-methyl-2-prop-2-enoxypropyl)azanium?
diethyl-methyl-(2-methyl-2-prop-2-enoxypropyl)azanium has a molecular weight of 200.35 g/mol, XLogP of 2.45, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-methyl-(2-methyl-2-prop-2-enoxypropyl)azanium is sourced from PubChem (CID 145267662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).