3-(6-methoxy-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)propan-1-amine

C15H21N3O — CID 84742588

IUPAC3-(6-methoxy-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)propan-1-amine
SMILESCOc1cccc2cc3n(c12)CCN(CCCN)C3
InChIInChI=1S/C15H21N3O/c1-19-14-5-2-4-12-10-13-11-17(7-3-6-16)8-9-18(13)15(12)14/h2,4-5,10H,3,6-9,11,16H2,1H3
InChIKeyUUQPOSDRAZWWJU-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.81
Rot. Bonds4

About 3-(6-methoxy-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)propan-1-amine

3-(6-methoxy-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)propan-1-amine (PubChem CID 84742588) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 3-(6-methoxy-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(6-methoxy-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)propan-1-amine
PubChem CID84742588
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name3-(6-methoxy-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)propan-1-amine
SMILESCOc1cccc2cc3n(c12)CCN(CCCN)C3
InChIInChI=1S/C15H21N3O/c1-19-14-5-2-4-12-10-13-11-17(7-3-6-16)8-9-18(13)15(12)14/h2,4-5,10H,3,6-9,11,16H2,1H3
InChIKeyUUQPOSDRAZWWJU-UHFFFAOYSA-N
XLogP1.81
TPSA43.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxy-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)propan-1-amine?
The IUPAC name of 3-(6-methoxy-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)propan-1-amine (CID 84742588) is 3-(6-methoxy-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)propan-1-amine.
What is the SMILES notation for 3-(6-methoxy-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)propan-1-amine?
The canonical SMILES for 3-(6-methoxy-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)propan-1-amine is COc1cccc2cc3n(c12)CCN(CCCN)C3.
What is the InChIKey of 3-(6-methoxy-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)propan-1-amine?
The InChIKey is UUQPOSDRAZWWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-19-14-5-2-4-12-10-13-11-17(7-3-6-16)8-9-18(13)15(12)14/h2,4-5,10H,3,6-9,11,16H2,1H3.
What are the key properties of 3-(6-methoxy-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)propan-1-amine?
3-(6-methoxy-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)propan-1-amine has a molecular weight of 259.35 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxy-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)propan-1-amine is sourced from PubChem (CID 84742588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).