1-cyclohexyloxy-2-propan-2-ylisoquinolin-2-ium

C18H24NO+ — CID 155615242

IUPAC1-cyclohexyloxy-2-propan-2-ylisoquinolin-2-ium
SMILESCC(C)[n+]1ccc2ccccc2c1OC1CCCCC1
InChIInChI=1S/C18H24NO/c1-14(2)19-13-12-15-8-6-7-11-17(15)18(19)20-16-9-4-3-5-10-16/h6-8,11-14,16H,3-5,9-10H2,1-2H3/q+1
InChIKeyGJDHXLLBAHYAOG-UHFFFAOYSA-N
MW270.40 g/mol
LogP4.42
Rot. Bonds3

About 1-cyclohexyloxy-2-propan-2-ylisoquinolin-2-ium

1-cyclohexyloxy-2-propan-2-ylisoquinolin-2-ium (PubChem CID 155615242) has the molecular formula C18H24NO+ and a molecular weight of 270.40 g/mol. Its IUPAC name is 1-cyclohexyloxy-2-propan-2-ylisoquinolin-2-ium.

Molecular Properties

Compound Name1-cyclohexyloxy-2-propan-2-ylisoquinolin-2-ium
PubChem CID155615242
Molecular FormulaC18H24NO+
Molecular Weight270.40 g/mol
Exact Mass270.19
IUPAC Name1-cyclohexyloxy-2-propan-2-ylisoquinolin-2-ium
SMILESCC(C)[n+]1ccc2ccccc2c1OC1CCCCC1
InChIInChI=1S/C18H24NO/c1-14(2)19-13-12-15-8-6-7-11-17(15)18(19)20-16-9-4-3-5-10-16/h6-8,11-14,16H,3-5,9-10H2,1-2H3/q+1
InChIKeyGJDHXLLBAHYAOG-UHFFFAOYSA-N
XLogP4.42
TPSA13.11 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-(1-cyclohexyloxynaphthalen-2-yl)ethanamine
CID 43475177
(1S)-1-(1-cyclopentyloxynaphthalen-2-yl)ethanol
CID 78933591
2-(1-cyclopentyloxyisoquinolin-2-ium-2-yl)-1-phenylethanone
CID 139738998
9-cyclohexyloxyanthracene
CID 139783427
1-(chloromethyl)-3-cyclohexyloxynaphthalene
CID 146459949
1-(1-cyclohexyloxyisoquinolin-3-yl)-N-methylmethanamine
CID 62292060
(2-cyclohexyloxynaphthalen-1-yl)methanol
CID 43505781
1,2-dicyclohexyloxybenzene
CID 67331328
(1-cyclohexyloxyisoquinolin-3-yl)methanamine
CID 62290253
N-cyclohexyl-N,1-dimethylnaphthalen-2-amine
CID 154699282
1-(2-cyclohexyloxynaphthalen-1-yl)-2-(methoxymethyl)naphthalene
CID 141152735
(1S)-1-[1-(4-methylcyclohexyl)oxynaphthalen-2-yl]ethanamine
CID 64747480

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyloxy-2-propan-2-ylisoquinolin-2-ium?
The IUPAC name of 1-cyclohexyloxy-2-propan-2-ylisoquinolin-2-ium (CID 155615242) is 1-cyclohexyloxy-2-propan-2-ylisoquinolin-2-ium.
What is the SMILES notation for 1-cyclohexyloxy-2-propan-2-ylisoquinolin-2-ium?
The canonical SMILES for 1-cyclohexyloxy-2-propan-2-ylisoquinolin-2-ium is CC(C)[n+]1ccc2ccccc2c1OC1CCCCC1.
What is the InChIKey of 1-cyclohexyloxy-2-propan-2-ylisoquinolin-2-ium?
The InChIKey is GJDHXLLBAHYAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24NO/c1-14(2)19-13-12-15-8-6-7-11-17(15)18(19)20-16-9-4-3-5-10-16/h6-8,11-14,16H,3-5,9-10H2,1-2H3/q+1.
What are the key properties of 1-cyclohexyloxy-2-propan-2-ylisoquinolin-2-ium?
1-cyclohexyloxy-2-propan-2-ylisoquinolin-2-ium has a molecular weight of 270.40 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyloxy-2-propan-2-ylisoquinolin-2-ium is sourced from PubChem (CID 155615242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).