3-(3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindol-2-yl)-N-ethylpropan-1-amine

C16H25N3 — CID 23456512

IUPAC3-(3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindol-2-yl)-N-ethylpropan-1-amine
SMILESCCNCCCN1CCN2Cc3ccccc3C2C1
InChIInChI=1S/C16H25N3/c1-2-17-8-5-9-18-10-11-19-12-14-6-3-4-7-15(14)16(19)13-18/h3-4,6-7,16-17H,2,5,8-13H2,1H3
InChIKeyOLMURCWEKIBQCB-UHFFFAOYSA-N
MW259.40 g/mol
LogP1.86
Rot. Bonds5

About 3-(3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindol-2-yl)-N-ethylpropan-1-amine

3-(3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindol-2-yl)-N-ethylpropan-1-amine (PubChem CID 23456512) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 3-(3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindol-2-yl)-N-ethylpropan-1-amine.

Molecular Properties

Compound Name3-(3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindol-2-yl)-N-ethylpropan-1-amine
PubChem CID23456512
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name3-(3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindol-2-yl)-N-ethylpropan-1-amine
SMILESCCNCCCN1CCN2Cc3ccccc3C2C1
InChIInChI=1S/C16H25N3/c1-2-17-8-5-9-18-10-11-19-12-14-6-3-4-7-15(14)16(19)13-18/h3-4,6-7,16-17H,2,5,8-13H2,1H3
InChIKeyOLMURCWEKIBQCB-UHFFFAOYSA-N
XLogP1.86
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindol-2-yl)-N-ethylpropan-1-amine?
The IUPAC name of 3-(3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindol-2-yl)-N-ethylpropan-1-amine (CID 23456512) is 3-(3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindol-2-yl)-N-ethylpropan-1-amine.
What is the SMILES notation for 3-(3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindol-2-yl)-N-ethylpropan-1-amine?
The canonical SMILES for 3-(3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindol-2-yl)-N-ethylpropan-1-amine is CCNCCCN1CCN2Cc3ccccc3C2C1.
What is the InChIKey of 3-(3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindol-2-yl)-N-ethylpropan-1-amine?
The InChIKey is OLMURCWEKIBQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-2-17-8-5-9-18-10-11-19-12-14-6-3-4-7-15(14)16(19)13-18/h3-4,6-7,16-17H,2,5,8-13H2,1H3.
What are the key properties of 3-(3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindol-2-yl)-N-ethylpropan-1-amine?
3-(3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindol-2-yl)-N-ethylpropan-1-amine has a molecular weight of 259.40 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindol-2-yl)-N-ethylpropan-1-amine is sourced from PubChem (CID 23456512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).