1-(1-cyclohexyloxyisoquinolin-3-yl)-N-methylmethanamine

C17H22N2O — CID 62292060

IUPAC1-(1-cyclohexyloxyisoquinolin-3-yl)-N-methylmethanamine
SMILESCNCc1cc2ccccc2c(OC2CCCCC2)n1
InChIInChI=1S/C17H22N2O/c1-18-12-14-11-13-7-5-6-10-16(13)17(19-14)20-15-8-3-2-4-9-15/h5-7,10-11,15,18H,2-4,8-9,12H2,1H3
InChIKeyHCOVQUUGUSDRLH-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.67
Rot. Bonds4

About 1-(1-cyclohexyloxyisoquinolin-3-yl)-N-methylmethanamine

1-(1-cyclohexyloxyisoquinolin-3-yl)-N-methylmethanamine (PubChem CID 62292060) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-(1-cyclohexyloxyisoquinolin-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(1-cyclohexyloxyisoquinolin-3-yl)-N-methylmethanamine
PubChem CID62292060
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name1-(1-cyclohexyloxyisoquinolin-3-yl)-N-methylmethanamine
SMILESCNCc1cc2ccccc2c(OC2CCCCC2)n1
InChIInChI=1S/C17H22N2O/c1-18-12-14-11-13-7-5-6-10-16(13)17(19-14)20-15-8-3-2-4-9-15/h5-7,10-11,15,18H,2-4,8-9,12H2,1H3
InChIKeyHCOVQUUGUSDRLH-UHFFFAOYSA-N
XLogP3.67
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[1-(oxan-4-yloxy)isoquinolin-3-yl]methanamine
CID 62288419
(1-cyclohexyloxyisoquinolin-3-yl)methanamine
CID 62290253
(1-cyclobutyloxyisoquinolin-3-yl)methanamine
CID 62286989
(1-cyclobutyloxyisoquinolin-3-yl)methanol
CID 62141040
N-cyclopentyl-N-methyl-3-(methylaminomethyl)isoquinolin-1-amine
CID 62280560
N-[[1-(oxetan-3-yloxy)isoquinolin-3-yl]methyl]propan-2-amine
CID 102608007
1-[1-(2-chlorophenoxy)isoquinolin-3-yl]-N-methylmethanamine
CID 62298180
1-[1-(2-bromophenoxy)isoquinolin-3-yl]-N-methylmethanamine
CID 62297220
[1-(3,5-dimethylcyclohexyl)oxyisoquinolin-3-yl]methanol
CID 64728619
9-cyclohexyloxyanthracene
CID 139783427
N-[(1-propoxyisoquinolin-3-yl)methyl]cyclopropanamine
CID 62292584
1-(6-cycloheptyloxypyridazin-3-yl)-N-methylmethanamine
CID 62297892

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexyloxyisoquinolin-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(1-cyclohexyloxyisoquinolin-3-yl)-N-methylmethanamine (CID 62292060) is 1-(1-cyclohexyloxyisoquinolin-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(1-cyclohexyloxyisoquinolin-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(1-cyclohexyloxyisoquinolin-3-yl)-N-methylmethanamine is CNCc1cc2ccccc2c(OC2CCCCC2)n1.
What is the InChIKey of 1-(1-cyclohexyloxyisoquinolin-3-yl)-N-methylmethanamine?
The InChIKey is HCOVQUUGUSDRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-18-12-14-11-13-7-5-6-10-16(13)17(19-14)20-15-8-3-2-4-9-15/h5-7,10-11,15,18H,2-4,8-9,12H2,1H3.
What are the key properties of 1-(1-cyclohexyloxyisoquinolin-3-yl)-N-methylmethanamine?
1-(1-cyclohexyloxyisoquinolin-3-yl)-N-methylmethanamine has a molecular weight of 270.38 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexyloxyisoquinolin-3-yl)-N-methylmethanamine is sourced from PubChem (CID 62292060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).