trimethyl-[(1S)-1-naphthalen-2-ylethyl]azanium

C15H20N+ — CID 71541621

IUPACtrimethyl-[(1S)-1-naphthalen-2-ylethyl]azanium
SMILESC[C@@H](c1ccc2ccccc2c1)[N+](C)(C)C
InChIInChI=1S/C15H20N/c1-12(16(2,3)4)14-10-9-13-7-5-6-8-15(13)11-14/h5-12H,1-4H3/q+1/t12-/m0/s1
InChIKeyWLFSZEVXDLKMDE-LBPRGKRZSA-N
MW214.33 g/mol
LogP3.61
Rot. Bonds2

About trimethyl-[(1S)-1-naphthalen-2-ylethyl]azanium

trimethyl-[(1S)-1-naphthalen-2-ylethyl]azanium (PubChem CID 71541621) has the molecular formula C15H20N+ and a molecular weight of 214.33 g/mol. Its IUPAC name is trimethyl-[(1S)-1-naphthalen-2-ylethyl]azanium.

Molecular Properties

Compound Nametrimethyl-[(1S)-1-naphthalen-2-ylethyl]azanium
PubChem CID71541621
Molecular FormulaC15H20N+
Molecular Weight214.33 g/mol
Exact Mass214.16
IUPAC Nametrimethyl-[(1S)-1-naphthalen-2-ylethyl]azanium
SMILESC[C@@H](c1ccc2ccccc2c1)[N+](C)(C)C
InChIInChI=1S/C15H20N/c1-12(16(2,3)4)14-10-9-13-7-5-6-8-15(13)11-14/h5-12H,1-4H3/q+1/t12-/m0/s1
InChIKeyWLFSZEVXDLKMDE-LBPRGKRZSA-N
XLogP3.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 53.61
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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Related Compounds

ethane;2-propan-2-ylnaphthalene
CID 142226111
2-propan-2-ylpentacene
CID 153380535
1-naphthalen-2-ylethanethiol
CID 11672816
1-naphthalen-2-ylethanamine
CID 3857145
[(1S)-1-naphthalen-2-ylethyl]azanium chloride
CID 155931519
N-methyl-N-(1-naphthalen-2-ylethyl)hydroxylamine
CID 134925805
3-naphthalen-2-ylbutan-2-amine
CID 66436107
2-(dinaphthalen-2-ylmethyl)naphthalene;ethane;naphthalene;bis(2-(1-naphthalen-2-ylethyl)naphthalene)
CID 158656966
cumene;ethane;methane;2-propan-2-ylnaphthalene
CID 158431045
methyl-[(1R)-1-naphthalen-2-ylethyl]azanide
CID 59298029
(1R)-3-methyl-1-naphthalen-2-ylbutan-1-amine;hydrochloride
CID 171201317
dichloro(1-naphthalen-2-ylethyl)borane
CID 156905612

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(1S)-1-naphthalen-2-ylethyl]azanium?
The IUPAC name of trimethyl-[(1S)-1-naphthalen-2-ylethyl]azanium (CID 71541621) is trimethyl-[(1S)-1-naphthalen-2-ylethyl]azanium.
What is the SMILES notation for trimethyl-[(1S)-1-naphthalen-2-ylethyl]azanium?
The canonical SMILES for trimethyl-[(1S)-1-naphthalen-2-ylethyl]azanium is C[C@@H](c1ccc2ccccc2c1)[N+](C)(C)C.
What is the InChIKey of trimethyl-[(1S)-1-naphthalen-2-ylethyl]azanium?
The InChIKey is WLFSZEVXDLKMDE-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H20N/c1-12(16(2,3)4)14-10-9-13-7-5-6-8-15(13)11-14/h5-12H,1-4H3/q+1/t12-/m0/s1.
What are the key properties of trimethyl-[(1S)-1-naphthalen-2-ylethyl]azanium?
trimethyl-[(1S)-1-naphthalen-2-ylethyl]azanium has a molecular weight of 214.33 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(1S)-1-naphthalen-2-ylethyl]azanium is sourced from PubChem (CID 71541621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).