7-(cyclobutylmethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline

C17H24N2 — CID 134142903

IUPAC7-(cyclobutylmethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline
SMILESc1cc(CC2CCC2)c2c(c1)N1CCNCC1CC2
InChIInChI=1S/C17H24N2/c1-3-13(4-1)11-14-5-2-6-17-16(14)8-7-15-12-18-9-10-19(15)17/h2,5-6,13,15,18H,1,3-4,7-12H2
InChIKeyLABWPGUAXBMYED-UHFFFAOYSA-N
MW256.39 g/mol
LogP2.75
Rot. Bonds2

About 7-(cyclobutylmethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline

7-(cyclobutylmethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline (PubChem CID 134142903) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 7-(cyclobutylmethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline.

Molecular Properties

Compound Name7-(cyclobutylmethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline
PubChem CID134142903
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name7-(cyclobutylmethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline
SMILESc1cc(CC2CCC2)c2c(c1)N1CCNCC1CC2
InChIInChI=1S/C17H24N2/c1-3-13(4-1)11-14-5-2-6-17-16(14)8-7-15-12-18-9-10-19(15)17/h2,5-6,13,15,18H,1,3-4,7-12H2
InChIKeyLABWPGUAXBMYED-UHFFFAOYSA-N
XLogP2.75
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(cyclobutylmethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline?
The IUPAC name of 7-(cyclobutylmethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline (CID 134142903) is 7-(cyclobutylmethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline.
What is the SMILES notation for 7-(cyclobutylmethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline?
The canonical SMILES for 7-(cyclobutylmethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline is c1cc(CC2CCC2)c2c(c1)N1CCNCC1CC2.
What is the InChIKey of 7-(cyclobutylmethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline?
The InChIKey is LABWPGUAXBMYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-3-13(4-1)11-14-5-2-6-17-16(14)8-7-15-12-18-9-10-19(15)17/h2,5-6,13,15,18H,1,3-4,7-12H2.
What are the key properties of 7-(cyclobutylmethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline?
7-(cyclobutylmethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline has a molecular weight of 256.39 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclobutylmethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline is sourced from PubChem (CID 134142903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).