[1-(3-methylcyclohexyl)oxyisoquinolin-4-yl]methanamine

C17H22N2O — CID 106777338

IUPAC[1-(3-methylcyclohexyl)oxyisoquinolin-4-yl]methanamine
SMILESCC1CCCC(Oc2ncc(CN)c3ccccc23)C1
InChIInChI=1S/C17H22N2O/c1-12-5-4-6-14(9-12)20-17-16-8-3-2-7-15(16)13(10-18)11-19-17/h2-3,7-8,11-12,14H,4-6,9-10,18H2,1H3
InChIKeyOFNBIRGFHAKQPS-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.65
Rot. Bonds3

About [1-(3-methylcyclohexyl)oxyisoquinolin-4-yl]methanamine

[1-(3-methylcyclohexyl)oxyisoquinolin-4-yl]methanamine (PubChem CID 106777338) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is [1-(3-methylcyclohexyl)oxyisoquinolin-4-yl]methanamine.

Molecular Properties

Compound Name[1-(3-methylcyclohexyl)oxyisoquinolin-4-yl]methanamine
PubChem CID106777338
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name[1-(3-methylcyclohexyl)oxyisoquinolin-4-yl]methanamine
SMILESCC1CCCC(Oc2ncc(CN)c3ccccc23)C1
InChIInChI=1S/C17H22N2O/c1-12-5-4-6-14(9-12)20-17-16-8-3-2-7-15(16)13(10-18)11-19-17/h2-3,7-8,11-12,14H,4-6,9-10,18H2,1H3
InChIKeyOFNBIRGFHAKQPS-UHFFFAOYSA-N
XLogP3.65
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3-ethylcyclohexyl)oxyisoquinolin-4-yl]methanamine
CID 106777491
[1-(oxetan-3-yloxy)isoquinolin-4-yl]methanamine
CID 106777582
[1-(3-ethylcyclohexyl)oxyisoquinolin-4-yl]methanol
CID 106768794
4-(chloromethyl)-1-(3,5-dimethylcyclohexyl)oxyisoquinoline
CID 106769612
[3-fluoro-2-(3-methylcyclohexyl)oxy-4-pyridinyl]methanamine
CID 105390958
4-(chloromethyl)-1-(3,4-dimethylcyclohexyl)oxyisoquinoline
CID 106769614
[5-bromo-3-methyl-2-(3-methylcyclohexyl)oxyphenyl]methanamine
CID 112619867
[2-(3-methylcyclohexyl)oxy-4-pyridinyl]methanamine
CID 43126965
[6-methyl-4-(3-methylcyclohexyl)oxy-3-pyridinyl]methanol
CID 81237044
3-(aminomethyl)-N-(3-methylcyclopentyl)quinolin-4-amine
CID 114543465
[1-(2-chlorophenoxy)isoquinolin-4-yl]methanamine
CID 106777391
4-(aminomethyl)-N-cyclopentyl-N-methylisoquinolin-1-amine
CID 106775058

Frequently Asked Questions

What is the IUPAC name of [1-(3-methylcyclohexyl)oxyisoquinolin-4-yl]methanamine?
The IUPAC name of [1-(3-methylcyclohexyl)oxyisoquinolin-4-yl]methanamine (CID 106777338) is [1-(3-methylcyclohexyl)oxyisoquinolin-4-yl]methanamine.
What is the SMILES notation for [1-(3-methylcyclohexyl)oxyisoquinolin-4-yl]methanamine?
The canonical SMILES for [1-(3-methylcyclohexyl)oxyisoquinolin-4-yl]methanamine is CC1CCCC(Oc2ncc(CN)c3ccccc23)C1.
What is the InChIKey of [1-(3-methylcyclohexyl)oxyisoquinolin-4-yl]methanamine?
The InChIKey is OFNBIRGFHAKQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-12-5-4-6-14(9-12)20-17-16-8-3-2-7-15(16)13(10-18)11-19-17/h2-3,7-8,11-12,14H,4-6,9-10,18H2,1H3.
What are the key properties of [1-(3-methylcyclohexyl)oxyisoquinolin-4-yl]methanamine?
[1-(3-methylcyclohexyl)oxyisoquinolin-4-yl]methanamine has a molecular weight of 270.38 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methylcyclohexyl)oxyisoquinolin-4-yl]methanamine is sourced from PubChem (CID 106777338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).