trimethyl(naphthalen-2-ylmethyl)azanium

C14H18N+ — CID 4066289

IUPACtrimethyl(naphthalen-2-ylmethyl)azanium
SMILESC[N+](C)(C)Cc1ccc2ccccc2c1
InChIInChI=1S/C14H18N/c1-15(2,3)11-12-8-9-13-6-4-5-7-14(13)10-12/h4-10H,11H2,1-3H3/q+1
InChIKeyOATDUTNIPAHZPZ-UHFFFAOYSA-N
MW200.31 g/mol
LogP3.05
Rot. Bonds2

About trimethyl(naphthalen-2-ylmethyl)azanium

trimethyl(naphthalen-2-ylmethyl)azanium (PubChem CID 4066289) has the molecular formula C14H18N+ and a molecular weight of 200.31 g/mol. Its IUPAC name is trimethyl(naphthalen-2-ylmethyl)azanium.

Molecular Properties

Compound Nametrimethyl(naphthalen-2-ylmethyl)azanium
PubChem CID4066289
Molecular FormulaC14H18N+
Molecular Weight200.31 g/mol
Exact Mass200.14
IUPAC Nametrimethyl(naphthalen-2-ylmethyl)azanium
SMILESC[N+](C)(C)Cc1ccc2ccccc2c1
InChIInChI=1S/C14H18N/c1-15(2,3)11-12-8-9-13-6-4-5-7-14(13)10-12/h4-10H,11H2,1-3H3/q+1
InChIKeyOATDUTNIPAHZPZ-UHFFFAOYSA-N
XLogP3.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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(naphthalen-2-ylmethyl)azanium?
The IUPAC name of trimethyl(naphthalen-2-ylmethyl)azanium (CID 4066289) is trimethyl(naphthalen-2-ylmethyl)azanium.
What is the SMILES notation for trimethyl(naphthalen-2-ylmethyl)azanium?
The canonical SMILES for trimethyl(naphthalen-2-ylmethyl)azanium is C[N+](C)(C)Cc1ccc2ccccc2c1.
What is the InChIKey of trimethyl(naphthalen-2-ylmethyl)azanium?
The InChIKey is OATDUTNIPAHZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N/c1-15(2,3)11-12-8-9-13-6-4-5-7-14(13)10-12/h4-10H,11H2,1-3H3/q+1.
What are the key properties of trimethyl(naphthalen-2-ylmethyl)azanium?
trimethyl(naphthalen-2-ylmethyl)azanium has a molecular weight of 200.31 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(naphthalen-2-ylmethyl)azanium is sourced from PubChem (CID 4066289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).