trimethyl(4-prop-2-enoxybutan-2-yl)azanium

C10H22NO+ — CID 173322121

IUPACtrimethyl(4-prop-2-enoxybutan-2-yl)azanium
SMILESC=CCOCCC(C)[N+](C)(C)C
InChIInChI=1S/C10H22NO/c1-6-8-12-9-7-10(2)11(3,4)5/h6,10H,1,7-9H2,2-5H3/q+1
InChIKeyFIWMDIBETCZDOG-UHFFFAOYSA-N
MW172.29 g/mol
LogP1.67
Rot. Bonds6

About trimethyl(4-prop-2-enoxybutan-2-yl)azanium

trimethyl(4-prop-2-enoxybutan-2-yl)azanium (PubChem CID 173322121) has the molecular formula C10H22NO+ and a molecular weight of 172.29 g/mol. Its IUPAC name is trimethyl(4-prop-2-enoxybutan-2-yl)azanium.

Molecular Properties

Compound Nametrimethyl(4-prop-2-enoxybutan-2-yl)azanium
PubChem CID173322121
Molecular FormulaC10H22NO+
Molecular Weight172.29 g/mol
Exact Mass172.17
IUPAC Nametrimethyl(4-prop-2-enoxybutan-2-yl)azanium
SMILESC=CCOCCC(C)[N+](C)(C)C
InChIInChI=1S/C10H22NO/c1-6-8-12-9-7-10(2)11(3,4)5/h6,10H,1,7-9H2,2-5H3/q+1
InChIKeyFIWMDIBETCZDOG-UHFFFAOYSA-N
XLogP1.67
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 ≤ 51.67
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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Related Compounds

3,5-dimethyl-1,7-bis(prop-2-enoxy)heptan-4-ol
CID 166514996
ethane-1,2-diol;3-methyl-1-prop-2-enoxybutane
CID 174750448
4-prop-2-enoxybutan-2-yl acetate
CID 174472917
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-ene
CID 58112303
butane-1,3-diol;3-prop-2-enoxyprop-1-ene
CID 22165027
methane;1-prop-2-enoxypropane
CID 157267338
azane;1-prop-2-enoxypropane
CID 87450499
azane;12-prop-2-enoxydodecan-3-ol
CID 175787809
trimethyl(prop-2-enoxymethyl)azanium iodide
CID 3026348
dimethyl-bis(1-prop-2-enoxyethyl)azanium
CID 87092032
3-prop-2-enoxy-1-propoxybutane
CID 173418975
tris(prop-1-ene);3-prop-2-enoxyprop-1-ene
CID 175414947

Frequently Asked Questions

What is the IUPAC name of trimethyl(4-prop-2-enoxybutan-2-yl)azanium?
The IUPAC name of trimethyl(4-prop-2-enoxybutan-2-yl)azanium (CID 173322121) is trimethyl(4-prop-2-enoxybutan-2-yl)azanium.
What is the SMILES notation for trimethyl(4-prop-2-enoxybutan-2-yl)azanium?
The canonical SMILES for trimethyl(4-prop-2-enoxybutan-2-yl)azanium is C=CCOCCC(C)[N+](C)(C)C.
What is the InChIKey of trimethyl(4-prop-2-enoxybutan-2-yl)azanium?
The InChIKey is FIWMDIBETCZDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22NO/c1-6-8-12-9-7-10(2)11(3,4)5/h6,10H,1,7-9H2,2-5H3/q+1.
What are the key properties of trimethyl(4-prop-2-enoxybutan-2-yl)azanium?
trimethyl(4-prop-2-enoxybutan-2-yl)azanium has a molecular weight of 172.29 g/mol, XLogP of 1.67, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(4-prop-2-enoxybutan-2-yl)azanium is sourced from PubChem (CID 173322121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).