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

C17H27N3 — CID 23456550

IUPAC3-(3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindol-2-yl)-N-ethyl-N-methylpropan-1-amine
SMILESCCN(C)CCCN1CCN2Cc3ccccc3C2C1
InChIInChI=1S/C17H27N3/c1-3-18(2)9-6-10-19-11-12-20-13-15-7-4-5-8-16(15)17(20)14-19/h4-5,7-8,17H,3,6,9-14H2,1-2H3
InChIKeyOSGUEZYOGOVLGK-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.20
Rot. Bonds5

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

3-(3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindol-2-yl)-N-ethyl-N-methylpropan-1-amine (PubChem CID 23456550) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 3-(3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindol-2-yl)-N-ethyl-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindol-2-yl)-N-ethyl-N-methylpropan-1-amine
PubChem CID23456550
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name3-(3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindol-2-yl)-N-ethyl-N-methylpropan-1-amine
SMILESCCN(C)CCCN1CCN2Cc3ccccc3C2C1
InChIInChI=1S/C17H27N3/c1-3-18(2)9-6-10-19-11-12-20-13-15-7-4-5-8-16(15)17(20)14-19/h4-5,7-8,17H,3,6,9-14H2,1-2H3
InChIKeyOSGUEZYOGOVLGK-UHFFFAOYSA-N
XLogP2.20
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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-ethyl-N-methylpropan-1-amine?
The IUPAC name of 3-(3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindol-2-yl)-N-ethyl-N-methylpropan-1-amine (CID 23456550) is 3-(3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindol-2-yl)-N-ethyl-N-methylpropan-1-amine.
What is the SMILES notation for 3-(3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindol-2-yl)-N-ethyl-N-methylpropan-1-amine?
The canonical SMILES for 3-(3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindol-2-yl)-N-ethyl-N-methylpropan-1-amine is CCN(C)CCCN1CCN2Cc3ccccc3C2C1.
What is the InChIKey of 3-(3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindol-2-yl)-N-ethyl-N-methylpropan-1-amine?
The InChIKey is OSGUEZYOGOVLGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-3-18(2)9-6-10-19-11-12-20-13-15-7-4-5-8-16(15)17(20)14-19/h4-5,7-8,17H,3,6,9-14H2,1-2H3.
What are the key properties of 3-(3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindol-2-yl)-N-ethyl-N-methylpropan-1-amine?
3-(3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindol-2-yl)-N-ethyl-N-methylpropan-1-amine has a molecular weight of 273.42 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 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-ethyl-N-methylpropan-1-amine is sourced from PubChem (CID 23456550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).