2-(6-methoxy-2,8-dimethyl-3,4-dihydro-1H-pyrazino[1,2-a]indol-10-yl)ethanamine

C16H23N3O — CID 84743241

IUPAC2-(6-methoxy-2,8-dimethyl-3,4-dihydro-1H-pyrazino[1,2-a]indol-10-yl)ethanamine
SMILESCOc1cc(C)cc2c(CCN)c3n(c12)CCN(C)C3
InChIInChI=1S/C16H23N3O/c1-11-8-13-12(4-5-17)14-10-18(2)6-7-19(14)16(13)15(9-11)20-3/h8-9H,4-7,10,17H2,1-3H3
InChIKeyLPWPWYZXKWDEBI-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.90
Rot. Bonds3

About 2-(6-methoxy-2,8-dimethyl-3,4-dihydro-1H-pyrazino[1,2-a]indol-10-yl)ethanamine

2-(6-methoxy-2,8-dimethyl-3,4-dihydro-1H-pyrazino[1,2-a]indol-10-yl)ethanamine (PubChem CID 84743241) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-(6-methoxy-2,8-dimethyl-3,4-dihydro-1H-pyrazino[1,2-a]indol-10-yl)ethanamine.

Molecular Properties

Compound Name2-(6-methoxy-2,8-dimethyl-3,4-dihydro-1H-pyrazino[1,2-a]indol-10-yl)ethanamine
PubChem CID84743241
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name2-(6-methoxy-2,8-dimethyl-3,4-dihydro-1H-pyrazino[1,2-a]indol-10-yl)ethanamine
SMILESCOc1cc(C)cc2c(CCN)c3n(c12)CCN(C)C3
InChIInChI=1S/C16H23N3O/c1-11-8-13-12(4-5-17)14-10-18(2)6-7-19(14)16(13)15(9-11)20-3/h8-9H,4-7,10,17H2,1-3H3
InChIKeyLPWPWYZXKWDEBI-UHFFFAOYSA-N
XLogP1.90
TPSA43.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-2,8-dimethyl-3,4-dihydro-1H-pyrazino[1,2-a]indol-10-yl)ethanamine?
The IUPAC name of 2-(6-methoxy-2,8-dimethyl-3,4-dihydro-1H-pyrazino[1,2-a]indol-10-yl)ethanamine (CID 84743241) is 2-(6-methoxy-2,8-dimethyl-3,4-dihydro-1H-pyrazino[1,2-a]indol-10-yl)ethanamine.
What is the SMILES notation for 2-(6-methoxy-2,8-dimethyl-3,4-dihydro-1H-pyrazino[1,2-a]indol-10-yl)ethanamine?
The canonical SMILES for 2-(6-methoxy-2,8-dimethyl-3,4-dihydro-1H-pyrazino[1,2-a]indol-10-yl)ethanamine is COc1cc(C)cc2c(CCN)c3n(c12)CCN(C)C3.
What is the InChIKey of 2-(6-methoxy-2,8-dimethyl-3,4-dihydro-1H-pyrazino[1,2-a]indol-10-yl)ethanamine?
The InChIKey is LPWPWYZXKWDEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-11-8-13-12(4-5-17)14-10-18(2)6-7-19(14)16(13)15(9-11)20-3/h8-9H,4-7,10,17H2,1-3H3.
What are the key properties of 2-(6-methoxy-2,8-dimethyl-3,4-dihydro-1H-pyrazino[1,2-a]indol-10-yl)ethanamine?
2-(6-methoxy-2,8-dimethyl-3,4-dihydro-1H-pyrazino[1,2-a]indol-10-yl)ethanamine has a molecular weight of 273.38 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-2,8-dimethyl-3,4-dihydro-1H-pyrazino[1,2-a]indol-10-yl)ethanamine is sourced from PubChem (CID 84743241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).