9-propyl-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline

C15H22N2 — CID 134137441

IUPAC9-propyl-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline
SMILESCCCc1ccc2c(c1)N1CCNCC1CC2
InChIInChI=1S/C15H22N2/c1-2-3-12-4-5-13-6-7-14-11-16-8-9-17(14)15(13)10-12/h4-5,10,14,16H,2-3,6-9,11H2,1H3
InChIKeyCQJGIVWOEQETPN-UHFFFAOYSA-N
MW230.35 g/mol
LogP2.36
Rot. Bonds2

About 9-propyl-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline

9-propyl-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline (PubChem CID 134137441) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 9-propyl-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline.

Molecular Properties

Compound Name9-propyl-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline
PubChem CID134137441
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name9-propyl-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline
SMILESCCCc1ccc2c(c1)N1CCNCC1CC2
InChIInChI=1S/C15H22N2/c1-2-3-12-4-5-13-6-7-14-11-16-8-9-17(14)15(13)10-12/h4-5,10,14,16H,2-3,6-9,11H2,1H3
InChIKeyCQJGIVWOEQETPN-UHFFFAOYSA-N
XLogP2.36
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-propyl-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline?
The IUPAC name of 9-propyl-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline (CID 134137441) is 9-propyl-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline.
What is the SMILES notation for 9-propyl-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline?
The canonical SMILES for 9-propyl-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline is CCCc1ccc2c(c1)N1CCNCC1CC2.
What is the InChIKey of 9-propyl-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline?
The InChIKey is CQJGIVWOEQETPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-2-3-12-4-5-13-6-7-14-11-16-8-9-17(14)15(13)10-12/h4-5,10,14,16H,2-3,6-9,11H2,1H3.
What are the key properties of 9-propyl-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline?
9-propyl-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline has a molecular weight of 230.35 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-propyl-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline is sourced from PubChem (CID 134137441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).