trimethyl-(3-naphthalen-1-yl-3-oxopropyl)azanium

C16H20NO+ — CID 1518

IUPACtrimethyl-(3-naphthalen-1-yl-3-oxopropyl)azanium
SMILESC[N+](C)(C)CCC(=O)c1cccc2ccccc12
InChIInChI=1S/C16H20NO/c1-17(2,3)12-11-16(18)15-10-6-8-13-7-4-5-9-14(13)15/h4-10H,11-12H2,1-3H3/q+1
InChIKeyWZJKPXZLQTXALB-UHFFFAOYSA-N
MW242.34 g/mol
LogP3.12
Rot. Bonds4

About trimethyl-(3-naphthalen-1-yl-3-oxopropyl)azanium

trimethyl-(3-naphthalen-1-yl-3-oxopropyl)azanium (PubChem CID 1518) has the molecular formula C16H20NO+ and a molecular weight of 242.34 g/mol. Its IUPAC name is trimethyl-(3-naphthalen-1-yl-3-oxopropyl)azanium.

Molecular Properties

Compound Nametrimethyl-(3-naphthalen-1-yl-3-oxopropyl)azanium
PubChem CID1518
Molecular FormulaC16H20NO+
Molecular Weight242.34 g/mol
Exact Mass242.15
IUPAC Nametrimethyl-(3-naphthalen-1-yl-3-oxopropyl)azanium
SMILESC[N+](C)(C)CCC(=O)c1cccc2ccccc12
InChIInChI=1S/C16H20NO/c1-17(2,3)12-11-16(18)15-10-6-8-13-7-4-5-9-14(13)15/h4-10H,11-12H2,1-3H3/q+1
InChIKeyWZJKPXZLQTXALB-UHFFFAOYSA-N
XLogP3.12
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 53.12
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-(3-naphthalen-1-yl-3-oxopropyl)azanium?
The IUPAC name of trimethyl-(3-naphthalen-1-yl-3-oxopropyl)azanium (CID 1518) is trimethyl-(3-naphthalen-1-yl-3-oxopropyl)azanium.
What is the SMILES notation for trimethyl-(3-naphthalen-1-yl-3-oxopropyl)azanium?
The canonical SMILES for trimethyl-(3-naphthalen-1-yl-3-oxopropyl)azanium is C[N+](C)(C)CCC(=O)c1cccc2ccccc12.
What is the InChIKey of trimethyl-(3-naphthalen-1-yl-3-oxopropyl)azanium?
The InChIKey is WZJKPXZLQTXALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20NO/c1-17(2,3)12-11-16(18)15-10-6-8-13-7-4-5-9-14(13)15/h4-10H,11-12H2,1-3H3/q+1.
What are the key properties of trimethyl-(3-naphthalen-1-yl-3-oxopropyl)azanium?
trimethyl-(3-naphthalen-1-yl-3-oxopropyl)azanium has a molecular weight of 242.34 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-(3-naphthalen-1-yl-3-oxopropyl)azanium is sourced from PubChem (CID 1518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).