trimethyl-[[(1R,3S,4S)-3-methyl-4-phenylmethoxycyclopentyl]methyl]azanium

C17H28NO+ — CID 101081564

IUPACtrimethyl-[[(1R,3S,4S)-3-methyl-4-phenylmethoxycyclopentyl]methyl]azanium
SMILESC[C@H]1C[C@@H](C[N+](C)(C)C)C[C@@H]1OCc1ccccc1
InChIInChI=1S/C17H28NO/c1-14-10-16(12-18(2,3)4)11-17(14)19-13-15-8-6-5-7-9-15/h5-9,14,16-17H,10-13H2,1-4H3/q+1/t14-,16+,17-/m0/s1
InChIKeyLXTJVGDMQWTURR-UAGQMJEPSA-N
MW262.42 g/mol
LogP3.32
Rot. Bonds5

About trimethyl-[[(1R,3S,4S)-3-methyl-4-phenylmethoxycyclopentyl]methyl]azanium

trimethyl-[[(1R,3S,4S)-3-methyl-4-phenylmethoxycyclopentyl]methyl]azanium (PubChem CID 101081564) has the molecular formula C17H28NO+ and a molecular weight of 262.42 g/mol. Its IUPAC name is trimethyl-[[(1R,3S,4S)-3-methyl-4-phenylmethoxycyclopentyl]methyl]azanium.

Molecular Properties

Compound Nametrimethyl-[[(1R,3S,4S)-3-methyl-4-phenylmethoxycyclopentyl]methyl]azanium
PubChem CID101081564
Molecular FormulaC17H28NO+
Molecular Weight262.42 g/mol
Exact Mass262.22
IUPAC Nametrimethyl-[[(1R,3S,4S)-3-methyl-4-phenylmethoxycyclopentyl]methyl]azanium
SMILESC[C@H]1C[C@@H](C[N+](C)(C)C)C[C@@H]1OCc1ccccc1
InChIInChI=1S/C17H28NO/c1-14-10-16(12-18(2,3)4)11-17(14)19-13-15-8-6-5-7-9-15/h5-9,14,16-17H,10-13H2,1-4H3/q+1/t14-,16+,17-/m0/s1
InChIKeyLXTJVGDMQWTURR-UAGQMJEPSA-N
XLogP3.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze trimethyl-[[(1R,3S,4S)-3-methyl-4-phenylmethoxycyclopentyl]methyl]azanium with MolForge

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Related Compounds

azane;[(1R)-2-methylcyclopropyl]oxymethylbenzene
CID 66809677
(1R,3R,4S)-3-methyl-4-phenylmethoxycyclopentan-1-ol
CID 134527646
(2-methylcyclobutyl)oxymethylbenzene
CID 163589446
[(1R,2S)-2-methylcyclohexyl]oxymethylbenzene
CID 168960565
[(1R,2R)-2-methoxycyclopropyl]oxymethylbenzene
CID 163224715
(1S,2S,3R,4R,6R)-4-methyl-3,6-bis(phenylmethoxy)cyclohexane-1,2-diol
CID 10569320
(2S,3R)-2-methyl-3-phenylmethoxyazetidine
CID 163409920
(1R,2R,3R,5S)-5-methyl-2,3-bis(phenylmethoxy)cyclohexan-1-ol
CID 59979356
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453
[(2R,5S)-2,3,4,5,6-pentamethylcyclohexyl]oxymethylbenzene
CID 58078794
(4-phenylmethoxycyclopent-2-en-1-yl)oxymethylbenzene
CID 14593673
(2-phenylmethoxycyclopentyl)oxymethylbenzene
CID 14085268

Frequently Asked Questions

What is the IUPAC name of trimethyl-[[(1R,3S,4S)-3-methyl-4-phenylmethoxycyclopentyl]methyl]azanium?
The IUPAC name of trimethyl-[[(1R,3S,4S)-3-methyl-4-phenylmethoxycyclopentyl]methyl]azanium (CID 101081564) is trimethyl-[[(1R,3S,4S)-3-methyl-4-phenylmethoxycyclopentyl]methyl]azanium.
What is the SMILES notation for trimethyl-[[(1R,3S,4S)-3-methyl-4-phenylmethoxycyclopentyl]methyl]azanium?
The canonical SMILES for trimethyl-[[(1R,3S,4S)-3-methyl-4-phenylmethoxycyclopentyl]methyl]azanium is C[C@H]1C[C@@H](C[N+](C)(C)C)C[C@@H]1OCc1ccccc1.
What is the InChIKey of trimethyl-[[(1R,3S,4S)-3-methyl-4-phenylmethoxycyclopentyl]methyl]azanium?
The InChIKey is LXTJVGDMQWTURR-UAGQMJEPSA-N. The full InChI is InChI=1S/C17H28NO/c1-14-10-16(12-18(2,3)4)11-17(14)19-13-15-8-6-5-7-9-15/h5-9,14,16-17H,10-13H2,1-4H3/q+1/t14-,16+,17-/m0/s1.
What are the key properties of trimethyl-[[(1R,3S,4S)-3-methyl-4-phenylmethoxycyclopentyl]methyl]azanium?
trimethyl-[[(1R,3S,4S)-3-methyl-4-phenylmethoxycyclopentyl]methyl]azanium has a molecular weight of 262.42 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[[(1R,3S,4S)-3-methyl-4-phenylmethoxycyclopentyl]methyl]azanium is sourced from PubChem (CID 101081564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).