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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Related Compounds

Metralindole
CID 68713
2,3,4,9-Tetrahydro-6-methoxy-1-methyl-1H-pyrido(3,4-b)indole
CID 71028
Pinoline
CID 1868
5-Methoxy-N,N,2-trimethyl-1H-indole-3-ethanamine
CID 49756
1-methoxy-3-methyl-9H-carbazole
CID 375150
7-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 599482
5-methoxy-2-phenyl-N,N-dimethyltryptamine
CID 6918515
Benanserin Hydrochloride
CID 10670
2-(7-methoxy-1H-indol-3-yl)ethan-1-amine
CID 17087
2-Ethyl-5-methoxy-N,N-dimethyltryptamine
CID 6918513
8-Methoxy-4,9-dihydro-3H-beta-carboline
CID 14355089
(+-)-Tetrahydroharmine
CID 159809

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).