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

C18H24N2O — CID 106777491

IUPAC[1-(3-ethylcyclohexyl)oxyisoquinolin-4-yl]methanamine
SMILESCCC1CCCC(Oc2ncc(CN)c3ccccc23)C1
InChIInChI=1S/C18H24N2O/c1-2-13-6-5-7-15(10-13)21-18-17-9-4-3-8-16(17)14(11-19)12-20-18/h3-4,8-9,12-13,15H,2,5-7,10-11,19H2,1H3
InChIKeyGPLYYVBTSNSRHB-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.04
Rot. Bonds4

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

[1-(3-ethylcyclohexyl)oxyisoquinolin-4-yl]methanamine (PubChem CID 106777491) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is [1-(3-ethylcyclohexyl)oxyisoquinolin-4-yl]methanamine.

Molecular Properties

Compound Name[1-(3-ethylcyclohexyl)oxyisoquinolin-4-yl]methanamine
PubChem CID106777491
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name[1-(3-ethylcyclohexyl)oxyisoquinolin-4-yl]methanamine
SMILESCCC1CCCC(Oc2ncc(CN)c3ccccc23)C1
InChIInChI=1S/C18H24N2O/c1-2-13-6-5-7-15(10-13)21-18-17-9-4-3-8-16(17)14(11-19)12-20-18/h3-4,8-9,12-13,15H,2,5-7,10-11,19H2,1H3
InChIKeyGPLYYVBTSNSRHB-UHFFFAOYSA-N
XLogP4.04
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Sarizotan
CID 6918388
4-Phenyl-7-(3-(piperidin-1-yl)propoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine
CID 15983456
N,N-diethyl-3-(6-methyl-8-phenyl-5,6,7,8-tetrahydro-2,6-naphthyridin-3-yloxy)propan-1-amine
CID 15983457
4-(6-Methoxy-3-methylnaphthalen-2-yl)isoquinoline
CID 25034427
3-methyl-2-[(1S)-1-phenylethoxy]-4-(piperidin-4-yl)pyridine
CID 25263334
[3-(7-Piperidin-4-yloxyisoquinolin-6-yl)phenyl]methanamine
CID 42618142
[4-(7-Piperidin-4-yloxyisoquinolin-6-yl)phenyl]methanamine
CID 42618143
6-Phenyl-7-(piperidin-4-yloxy)isoquinoline
CID 42618144
6-Phenyl-7-(piperidin-3-ylmethoxy)isoquinoline
CID 42618154
3-[2-Methyl-3-(piperidin-4-yl)phenoxymethyl]pyridine
CID 25263319
7-Piperidin-4-yloxyisoquinoline
CID 42618152
[3-(5-Methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)-propyl]-[2-(pyridin-2-yloxy)-ethyl]-amine
CID 10020030

Frequently Asked Questions

What is the IUPAC name of [1-(3-ethylcyclohexyl)oxyisoquinolin-4-yl]methanamine?
The IUPAC name of [1-(3-ethylcyclohexyl)oxyisoquinolin-4-yl]methanamine (CID 106777491) is [1-(3-ethylcyclohexyl)oxyisoquinolin-4-yl]methanamine.
What is the SMILES notation for [1-(3-ethylcyclohexyl)oxyisoquinolin-4-yl]methanamine?
The canonical SMILES for [1-(3-ethylcyclohexyl)oxyisoquinolin-4-yl]methanamine is CCC1CCCC(Oc2ncc(CN)c3ccccc23)C1.
What is the InChIKey of [1-(3-ethylcyclohexyl)oxyisoquinolin-4-yl]methanamine?
The InChIKey is GPLYYVBTSNSRHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-2-13-6-5-7-15(10-13)21-18-17-9-4-3-8-16(17)14(11-19)12-20-18/h3-4,8-9,12-13,15H,2,5-7,10-11,19H2,1H3.
What are the key properties of [1-(3-ethylcyclohexyl)oxyisoquinolin-4-yl]methanamine?
[1-(3-ethylcyclohexyl)oxyisoquinolin-4-yl]methanamine has a molecular weight of 284.40 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-ethylcyclohexyl)oxyisoquinolin-4-yl]methanamine is sourced from PubChem (CID 106777491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).