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

C10H22NO+ — CID 87436821

IUPACtrimethyl-[2-(2-methylprop-2-enoxy)propyl]azanium
SMILESC=C(C)COC(C)C[N+](C)(C)C
InChIInChI=1S/C10H22NO/c1-9(2)8-12-10(3)7-11(4,5)6/h10H,1,7-8H2,2-6H3/q+1
InChIKeyNWBJTHJEFAPMNA-UHFFFAOYSA-N
MW172.29 g/mol
LogP1.67
Rot. Bonds5

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

trimethyl-[2-(2-methylprop-2-enoxy)propyl]azanium (PubChem CID 87436821) has the molecular formula C10H22NO+ and a molecular weight of 172.29 g/mol. Its IUPAC name is trimethyl-[2-(2-methylprop-2-enoxy)propyl]azanium.

Molecular Properties

Compound Nametrimethyl-[2-(2-methylprop-2-enoxy)propyl]azanium
PubChem CID87436821
Molecular FormulaC10H22NO+
Molecular Weight172.29 g/mol
Exact Mass172.17
IUPAC Nametrimethyl-[2-(2-methylprop-2-enoxy)propyl]azanium
SMILESC=C(C)COC(C)C[N+](C)(C)C
InChIInChI=1S/C10H22NO/c1-9(2)8-12-10(3)7-11(4,5)6/h10H,1,7-8H2,2-6H3/q+1
InChIKeyNWBJTHJEFAPMNA-UHFFFAOYSA-N
XLogP1.67
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 ≤ 51.67
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 trimethyl-[2-(2-methylprop-2-enoxy)propyl]azanium?
The IUPAC name of trimethyl-[2-(2-methylprop-2-enoxy)propyl]azanium (CID 87436821) is trimethyl-[2-(2-methylprop-2-enoxy)propyl]azanium.
What is the SMILES notation for trimethyl-[2-(2-methylprop-2-enoxy)propyl]azanium?
The canonical SMILES for trimethyl-[2-(2-methylprop-2-enoxy)propyl]azanium is C=C(C)COC(C)C[N+](C)(C)C.
What is the InChIKey of trimethyl-[2-(2-methylprop-2-enoxy)propyl]azanium?
The InChIKey is NWBJTHJEFAPMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22NO/c1-9(2)8-12-10(3)7-11(4,5)6/h10H,1,7-8H2,2-6H3/q+1.
What are the key properties of trimethyl-[2-(2-methylprop-2-enoxy)propyl]azanium?
trimethyl-[2-(2-methylprop-2-enoxy)propyl]azanium has a molecular weight of 172.29 g/mol, XLogP of 1.67, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-(2-methylprop-2-enoxy)propyl]azanium is sourced from PubChem (CID 87436821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).