5-(5-ethyl-2-methylmorpholin-4-yl)-3-methylisoquinolin-8-amine

C17H23N3O — CID 102713093

IUPAC5-(5-ethyl-2-methylmorpholin-4-yl)-3-methylisoquinolin-8-amine
SMILESCCC1COC(C)CN1c1ccc(N)c2cnc(C)cc12
InChIInChI=1S/C17H23N3O/c1-4-13-10-21-12(3)9-20(13)17-6-5-16(18)15-8-19-11(2)7-14(15)17/h5-8,12-13H,4,9-10,18H2,1-3H3
InChIKeyKKWXBNPPWRBKPC-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.13
Rot. Bonds2

About 5-(5-ethyl-2-methylmorpholin-4-yl)-3-methylisoquinolin-8-amine

5-(5-ethyl-2-methylmorpholin-4-yl)-3-methylisoquinolin-8-amine (PubChem CID 102713093) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 5-(5-ethyl-2-methylmorpholin-4-yl)-3-methylisoquinolin-8-amine.

Molecular Properties

Compound Name5-(5-ethyl-2-methylmorpholin-4-yl)-3-methylisoquinolin-8-amine
PubChem CID102713093
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name5-(5-ethyl-2-methylmorpholin-4-yl)-3-methylisoquinolin-8-amine
SMILESCCC1COC(C)CN1c1ccc(N)c2cnc(C)cc12
InChIInChI=1S/C17H23N3O/c1-4-13-10-21-12(3)9-20(13)17-6-5-16(18)15-8-19-11(2)7-14(15)17/h5-8,12-13H,4,9-10,18H2,1-3H3
InChIKeyKKWXBNPPWRBKPC-UHFFFAOYSA-N
XLogP3.13
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(5-ethyl-2-methylmorpholin-4-yl)-3-methylisoquinolin-8-amine?
The IUPAC name of 5-(5-ethyl-2-methylmorpholin-4-yl)-3-methylisoquinolin-8-amine (CID 102713093) is 5-(5-ethyl-2-methylmorpholin-4-yl)-3-methylisoquinolin-8-amine.
What is the SMILES notation for 5-(5-ethyl-2-methylmorpholin-4-yl)-3-methylisoquinolin-8-amine?
The canonical SMILES for 5-(5-ethyl-2-methylmorpholin-4-yl)-3-methylisoquinolin-8-amine is CCC1COC(C)CN1c1ccc(N)c2cnc(C)cc12.
What is the InChIKey of 5-(5-ethyl-2-methylmorpholin-4-yl)-3-methylisoquinolin-8-amine?
The InChIKey is KKWXBNPPWRBKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-4-13-10-21-12(3)9-20(13)17-6-5-16(18)15-8-19-11(2)7-14(15)17/h5-8,12-13H,4,9-10,18H2,1-3H3.
What are the key properties of 5-(5-ethyl-2-methylmorpholin-4-yl)-3-methylisoquinolin-8-amine?
5-(5-ethyl-2-methylmorpholin-4-yl)-3-methylisoquinolin-8-amine has a molecular weight of 285.39 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-ethyl-2-methylmorpholin-4-yl)-3-methylisoquinolin-8-amine is sourced from PubChem (CID 102713093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).