trimethyl-[(2-naphthalen-1-ylacetyl)amino]azanium

C15H19N2O+ — CID 872172

IUPACtrimethyl-[(2-naphthalen-1-ylacetyl)amino]azanium
SMILESC[N+](C)(C)NC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C15H18N2O/c1-17(2,3)16-15(18)11-13-9-6-8-12-7-4-5-10-14(12)13/h4-10H,11H2,1-3H3/p+1
InChIKeyIVUVZFNMWUENTP-UHFFFAOYSA-O
MW243.33 g/mol
LogP2.12
Rot. Bonds3

About trimethyl-[(2-naphthalen-1-ylacetyl)amino]azanium

trimethyl-[(2-naphthalen-1-ylacetyl)amino]azanium (PubChem CID 872172) has the molecular formula C15H19N2O+ and a molecular weight of 243.33 g/mol. Its IUPAC name is trimethyl-[(2-naphthalen-1-ylacetyl)amino]azanium.

Molecular Properties

Compound Nametrimethyl-[(2-naphthalen-1-ylacetyl)amino]azanium
PubChem CID872172
Molecular FormulaC15H19N2O+
Molecular Weight243.33 g/mol
Exact Mass243.15
IUPAC Nametrimethyl-[(2-naphthalen-1-ylacetyl)amino]azanium
SMILESC[N+](C)(C)NC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C15H18N2O/c1-17(2,3)16-15(18)11-13-9-6-8-12-7-4-5-10-14(12)13/h4-10H,11H2,1-3H3/p+1
InChIKeyIVUVZFNMWUENTP-UHFFFAOYSA-O
XLogP2.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-2-oxoethyl)-2-naphthalen-1-ylacetamide
CID 9294847
N-(2-ethylphenyl)-2-naphthalen-1-ylacetamide
CID 1228282
N-cyclopropyl-2-naphthalen-1-ylacetamide
CID 976036
N-butyl-2-naphthalen-1-ylacetamide
CID 56993604
N-[2-(ethylamino)-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 18145666
N-(2-hydroxy-2-methylpropyl)-2-naphthalen-1-ylacetamide
CID 65110602
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-naphthalen-1-ylacetamide
CID 103895382
(2R)-2-[(2-naphthalen-1-ylacetyl)amino]propanoic acid
CID 2088738
cis-(1R,2S)-2-methyl-N'-(2-naphthalen-1-ylacetyl)cyclopropane-1-carbohydrazide
CID 42386223
3-naphthalen-1-yl-2-oxopropanoate
CID 18448912
acetic acid;2-naphthalen-1-ylacetic acid
CID 67744523
1-naphthalen-1-ylpentane-2,4-dione
CID 54264117

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(2-naphthalen-1-ylacetyl)amino]azanium?
The IUPAC name of trimethyl-[(2-naphthalen-1-ylacetyl)amino]azanium (CID 872172) is trimethyl-[(2-naphthalen-1-ylacetyl)amino]azanium.
What is the SMILES notation for trimethyl-[(2-naphthalen-1-ylacetyl)amino]azanium?
The canonical SMILES for trimethyl-[(2-naphthalen-1-ylacetyl)amino]azanium is C[N+](C)(C)NC(=O)Cc1cccc2ccccc12.
What is the InChIKey of trimethyl-[(2-naphthalen-1-ylacetyl)amino]azanium?
The InChIKey is IVUVZFNMWUENTP-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H18N2O/c1-17(2,3)16-15(18)11-13-9-6-8-12-7-4-5-10-14(12)13/h4-10H,11H2,1-3H3/p+1.
What are the key properties of trimethyl-[(2-naphthalen-1-ylacetyl)amino]azanium?
trimethyl-[(2-naphthalen-1-ylacetyl)amino]azanium has a molecular weight of 243.33 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(2-naphthalen-1-ylacetyl)amino]azanium is sourced from PubChem (CID 872172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).