trimethyl-[(5-methylfuran-2-yl)methyl]azanium

C9H16NO+ — CID 4141

IUPACtrimethyl-[(5-methylfuran-2-yl)methyl]azanium
SMILESCc1ccc(C[N+](C)(C)C)o1
InChIInChI=1S/C9H16NO/c1-8-5-6-9(11-8)7-10(2,3)4/h5-6H,7H2,1-4H3/q+1
InChIKeyKOWVJDFMEZKDDT-UHFFFAOYSA-N
MW154.23 g/mol
LogP1.79
Rot. Bonds2

About trimethyl-[(5-methylfuran-2-yl)methyl]azanium

trimethyl-[(5-methylfuran-2-yl)methyl]azanium (PubChem CID 4141) has the molecular formula C9H16NO+ and a molecular weight of 154.23 g/mol. Its IUPAC name is trimethyl-[(5-methylfuran-2-yl)methyl]azanium.

Molecular Properties

Compound Nametrimethyl-[(5-methylfuran-2-yl)methyl]azanium
PubChem CID4141
Molecular FormulaC9H16NO+
Molecular Weight154.23 g/mol
Exact Mass154.12
IUPAC Nametrimethyl-[(5-methylfuran-2-yl)methyl]azanium
SMILESCc1ccc(C[N+](C)(C)C)o1
InChIInChI=1S/C9H16NO/c1-8-5-6-9(11-8)7-10(2,3)4/h5-6H,7H2,1-4H3/q+1
InChIKeyKOWVJDFMEZKDDT-UHFFFAOYSA-N
XLogP1.79
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.23
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[(5-methylfuran-2-yl)methyl]azanium?
The IUPAC name of trimethyl-[(5-methylfuran-2-yl)methyl]azanium (CID 4141) is trimethyl-[(5-methylfuran-2-yl)methyl]azanium.
What is the SMILES notation for trimethyl-[(5-methylfuran-2-yl)methyl]azanium?
The canonical SMILES for trimethyl-[(5-methylfuran-2-yl)methyl]azanium is Cc1ccc(C[N+](C)(C)C)o1.
What is the InChIKey of trimethyl-[(5-methylfuran-2-yl)methyl]azanium?
The InChIKey is KOWVJDFMEZKDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16NO/c1-8-5-6-9(11-8)7-10(2,3)4/h5-6H,7H2,1-4H3/q+1.
What are the key properties of trimethyl-[(5-methylfuran-2-yl)methyl]azanium?
trimethyl-[(5-methylfuran-2-yl)methyl]azanium has a molecular weight of 154.23 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(5-methylfuran-2-yl)methyl]azanium is sourced from PubChem (CID 4141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).