N-(1-ethylpiperidin-3-yl)-5-methoxyisoquinolin-1-amine

C17H23N3O — CID 106537883

IUPACN-(1-ethylpiperidin-3-yl)-5-methoxyisoquinolin-1-amine
SMILESCCN1CCCC(Nc2nccc3c(OC)cccc23)C1
InChIInChI=1S/C17H23N3O/c1-3-20-11-5-6-13(12-20)19-17-15-7-4-8-16(21-2)14(15)9-10-18-17/h4,7-10,13H,3,5-6,11-12H2,1-2H3,(H,18,19)
InChIKeyLYXXCGJNYGHEKY-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.14
Rot. Bonds4

About N-(1-ethylpiperidin-3-yl)-5-methoxyisoquinolin-1-amine

N-(1-ethylpiperidin-3-yl)-5-methoxyisoquinolin-1-amine (PubChem CID 106537883) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-(1-ethylpiperidin-3-yl)-5-methoxyisoquinolin-1-amine.

Molecular Properties

Compound NameN-(1-ethylpiperidin-3-yl)-5-methoxyisoquinolin-1-amine
PubChem CID106537883
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-(1-ethylpiperidin-3-yl)-5-methoxyisoquinolin-1-amine
SMILESCCN1CCCC(Nc2nccc3c(OC)cccc23)C1
InChIInChI=1S/C17H23N3O/c1-3-20-11-5-6-13(12-20)19-17-15-7-4-8-16(21-2)14(15)9-10-18-17/h4,7-10,13H,3,5-6,11-12H2,1-2H3,(H,18,19)
InChIKeyLYXXCGJNYGHEKY-UHFFFAOYSA-N
XLogP3.14
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-5-methoxyisoquinolin-1-amine
CID 106537183
5-methoxy-N-(1-methylpiperidin-4-yl)isoquinolin-1-amine
CID 106537508
N-cyclohex-3-en-1-yl-5-methoxyisoquinolin-1-amine
CID 106538942
5-[(5-methoxyisoquinolin-1-yl)amino]-1-methylpiperidin-2-one
CID 106538817
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-methoxyisoquinolin-1-amine
CID 106537339
5-methoxy-N-(oxan-3-yl)isoquinolin-1-amine
CID 106538566
4-chloro-N-(1-ethylpiperidin-3-yl)phthalazin-1-amine
CID 62142127
methyl 2-[(1-ethylpiperidin-3-yl)amino]pyridine-3-carboxylate
CID 62000109
2-N-(5-methoxyisoquinolin-1-yl)cyclohexane-1,2-diamine
CID 106540400
N-(2,3-dimethylcyclopentyl)-5-methoxyisoquinolin-1-amine
CID 106538850
2-N-(1-ethylpiperidin-3-yl)-6-methoxypyridine-2,3-diamine
CID 113286474
5-methoxy-N-[(1-methylpiperidin-2-yl)methyl]isoquinolin-1-amine
CID 106538194

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpiperidin-3-yl)-5-methoxyisoquinolin-1-amine?
The IUPAC name of N-(1-ethylpiperidin-3-yl)-5-methoxyisoquinolin-1-amine (CID 106537883) is N-(1-ethylpiperidin-3-yl)-5-methoxyisoquinolin-1-amine.
What is the SMILES notation for N-(1-ethylpiperidin-3-yl)-5-methoxyisoquinolin-1-amine?
The canonical SMILES for N-(1-ethylpiperidin-3-yl)-5-methoxyisoquinolin-1-amine is CCN1CCCC(Nc2nccc3c(OC)cccc23)C1.
What is the InChIKey of N-(1-ethylpiperidin-3-yl)-5-methoxyisoquinolin-1-amine?
The InChIKey is LYXXCGJNYGHEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-3-20-11-5-6-13(12-20)19-17-15-7-4-8-16(21-2)14(15)9-10-18-17/h4,7-10,13H,3,5-6,11-12H2,1-2H3,(H,18,19).
What are the key properties of N-(1-ethylpiperidin-3-yl)-5-methoxyisoquinolin-1-amine?
N-(1-ethylpiperidin-3-yl)-5-methoxyisoquinolin-1-amine has a molecular weight of 285.39 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpiperidin-3-yl)-5-methoxyisoquinolin-1-amine is sourced from PubChem (CID 106537883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).