decyl-dimethyl-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]azanium

C23H48NO+ — CID 11675486

IUPACdecyl-dimethyl-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]azanium
SMILESCCCCCCCCCC[N+](C)(C)CO[C@@H]1C[C@H](C)CC[C@H]1C(C)C
InChIInChI=1S/C23H48NO/c1-7-8-9-10-11-12-13-14-17-24(5,6)19-25-23-18-21(4)15-16-22(23)20(2)3/h20-23H,7-19H2,1-6H3/q+1/t21-,22+,23-/m1/s1
InChIKeyLIFKDWFUGYQXQA-XPWALMASSA-N
MW354.64 g/mol
LogP6.64
Rot. Bonds13

About decyl-dimethyl-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]azanium

decyl-dimethyl-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]azanium (PubChem CID 11675486) has the molecular formula C23H48NO+ and a molecular weight of 354.64 g/mol. Its IUPAC name is decyl-dimethyl-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]azanium.

Molecular Properties

Compound Namedecyl-dimethyl-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]azanium
PubChem CID11675486
Molecular FormulaC23H48NO+
Molecular Weight354.64 g/mol
Exact Mass354.37
IUPAC Namedecyl-dimethyl-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]azanium
SMILESCCCCCCCCCC[N+](C)(C)CO[C@@H]1C[C@H](C)CC[C@H]1C(C)C
InChIInChI=1S/C23H48NO/c1-7-8-9-10-11-12-13-14-17-24(5,6)19-25-23-18-21(4)15-16-22(23)20(2)3/h20-23H,7-19H2,1-6H3/q+1/t21-,22+,23-/m1/s1
InChIKeyLIFKDWFUGYQXQA-XPWALMASSA-N
XLogP6.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.64
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze decyl-dimethyl-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]azanium with MolForge

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Related Compounds

heptyl-dimethyl-[[(5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]azanium
CID 122512054
dimethyl-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]-octylazanium chloride
CID 11516047
butyl-dimethyl-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-oxoethyl]azanium
CID 22435804
4-methyl-1-propan-2-yl-2-propoxycyclohexane
CID 54499043
(1S,2R,4R)-2-(chloromethoxy)-4-methyl-1-propan-2-ylcyclohexane
CID 2724987
3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-1-ol
CID 16734861
5-(5-methyl-2-propan-2-ylcyclohexyl)oxypentan-1-amine
CID 54966296
[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] decanoate
CID 12738088
cycloheptyloxymethyl-decyl-dimethylazanium
CID 10712689
diethyl-[(2S)-2-hydroxy-3-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxypropyl]-methylazanium
CID 124768566
2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanethiol
CID 131866620
(1S,2R,4R)-2-(2-bromoethoxy)-4-methyl-1-propan-2-ylcyclohexane
CID 22883721

Frequently Asked Questions

What is the IUPAC name of decyl-dimethyl-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]azanium?
The IUPAC name of decyl-dimethyl-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]azanium (CID 11675486) is decyl-dimethyl-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]azanium.
What is the SMILES notation for decyl-dimethyl-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]azanium?
The canonical SMILES for decyl-dimethyl-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]azanium is CCCCCCCCCC[N+](C)(C)CO[C@@H]1C[C@H](C)CC[C@H]1C(C)C.
What is the InChIKey of decyl-dimethyl-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]azanium?
The InChIKey is LIFKDWFUGYQXQA-XPWALMASSA-N. The full InChI is InChI=1S/C23H48NO/c1-7-8-9-10-11-12-13-14-17-24(5,6)19-25-23-18-21(4)15-16-22(23)20(2)3/h20-23H,7-19H2,1-6H3/q+1/t21-,22+,23-/m1/s1.
What are the key properties of decyl-dimethyl-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]azanium?
decyl-dimethyl-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]azanium has a molecular weight of 354.64 g/mol, XLogP of 6.64, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for decyl-dimethyl-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]azanium is sourced from PubChem (CID 11675486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).