trimethyl-[1-(2-methylprop-2-enoxy)propyl]azanium

C10H22NO+ — CID 87480843

IUPACtrimethyl-[1-(2-methylprop-2-enoxy)propyl]azanium
SMILESC=C(C)COC(CC)[N+](C)(C)C
InChIInChI=1S/C10H22NO/c1-7-10(11(4,5)6)12-8-9(2)3/h10H,2,7-8H2,1,3-6H3/q+1
InChIKeyCJZFUKVZZAQTTL-UHFFFAOYSA-N
MW172.29 g/mol
LogP2.02
Rot. Bonds5

About trimethyl-[1-(2-methylprop-2-enoxy)propyl]azanium

trimethyl-[1-(2-methylprop-2-enoxy)propyl]azanium (PubChem CID 87480843) has the molecular formula C10H22NO+ and a molecular weight of 172.29 g/mol. Its IUPAC name is trimethyl-[1-(2-methylprop-2-enoxy)propyl]azanium.

Molecular Properties

Compound Nametrimethyl-[1-(2-methylprop-2-enoxy)propyl]azanium
PubChem CID87480843
Molecular FormulaC10H22NO+
Molecular Weight172.29 g/mol
Exact Mass172.17
IUPAC Nametrimethyl-[1-(2-methylprop-2-enoxy)propyl]azanium
SMILESC=C(C)COC(CC)[N+](C)(C)C
InChIInChI=1S/C10H22NO/c1-7-10(11(4,5)6)12-8-9(2)3/h10H,2,7-8H2,1,3-6H3/q+1
InChIKeyCJZFUKVZZAQTTL-UHFFFAOYSA-N
XLogP2.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.29
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

2-(Tert-butoxymethyl)-n,n-dimethylprop-2-en-1-amine
CID 287994
Ooiqniuhvppknh-bqyqjahwsa-
CID 12397175
N,N-Dimethyl-2-[(2-methylprop-2-en-1-yl)oxy]ethan-1-amine
CID 17878359
Trimethyl-[1-(2-methylprop-2-enoxy)ethyl]azanium chloride
CID 19893188
Trimethyl-[1-(2-methylprop-2-enoxy)ethyl]azanium
CID 19893189
Tributyl-[1-(2-methylprop-2-enoxy)ethyl]azanium
CID 20218232
3-(allyloxy)-N,N-dimethylpropan-1-amine
CID 22650008
Trimethyl-[2-(2-methylprop-2-enoxy)ethyl]azanium
CID 22770234
N-methyl-1-(2-methylprop-2-enoxy)-N-[1-(2-methylprop-2-enoxy)ethyl]ethanamine
CID 23207125
N,N-dimethyl-1-(2-methylprop-2-enoxy)ethanamine
CID 23217879
Trimethyl(3-prop-2-enoxypropyl)azanium
CID 87064812
Trimethyl(1-prop-2-enoxypropyl)azanium
CID 87064813

Frequently Asked Questions

What is the IUPAC name of trimethyl-[1-(2-methylprop-2-enoxy)propyl]azanium?
The IUPAC name of trimethyl-[1-(2-methylprop-2-enoxy)propyl]azanium (CID 87480843) is trimethyl-[1-(2-methylprop-2-enoxy)propyl]azanium.
What is the SMILES notation for trimethyl-[1-(2-methylprop-2-enoxy)propyl]azanium?
The canonical SMILES for trimethyl-[1-(2-methylprop-2-enoxy)propyl]azanium is C=C(C)COC(CC)[N+](C)(C)C.
What is the InChIKey of trimethyl-[1-(2-methylprop-2-enoxy)propyl]azanium?
The InChIKey is CJZFUKVZZAQTTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22NO/c1-7-10(11(4,5)6)12-8-9(2)3/h10H,2,7-8H2,1,3-6H3/q+1.
What are the key properties of trimethyl-[1-(2-methylprop-2-enoxy)propyl]azanium?
trimethyl-[1-(2-methylprop-2-enoxy)propyl]azanium has a molecular weight of 172.29 g/mol, XLogP of 2.02, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[1-(2-methylprop-2-enoxy)propyl]azanium is sourced from PubChem (CID 87480843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).