4-ethyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine;hydrobromide

C14H21BrN2 — CID 16682138

IUPAC4-ethyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine;hydrobromide
SMILESBr.[H]/N=c1\c2c(n(CC)c3c1CCC3)CCCC2
InChIInChI=1S/C14H20N2.BrH/c1-2-16-12-8-4-3-6-10(12)14(15)11-7-5-9-13(11)16;/h15H,2-9H2,1H3;1H/b15-14+;
InChIKeyKDEBGIMNCASXLM-WPDLWGESSA-N
MW297.24 g/mol
LogP2.93
Rot. Bonds1

About 4-ethyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine;hydrobromide

4-ethyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine;hydrobromide (PubChem CID 16682138) has the molecular formula C14H21BrN2 and a molecular weight of 297.24 g/mol. Its IUPAC name is 4-ethyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine;hydrobromide.

Molecular Properties

Compound Name4-ethyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine;hydrobromide
PubChem CID16682138
Molecular FormulaC14H21BrN2
Molecular Weight297.24 g/mol
Exact Mass296.09
IUPAC Name4-ethyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine;hydrobromide
SMILESBr.[H]/N=c1\c2c(n(CC)c3c1CCC3)CCCC2
InChIInChI=1S/C14H20N2.BrH/c1-2-16-12-8-4-3-6-10(12)14(15)11-7-5-9-13(11)16;/h15H,2-9H2,1H3;1H/b15-14+;
InChIKeyKDEBGIMNCASXLM-WPDLWGESSA-N
XLogP2.93
TPSA28.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine;hydrobromide?
The IUPAC name of 4-ethyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine;hydrobromide (CID 16682138) is 4-ethyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine;hydrobromide.
What is the SMILES notation for 4-ethyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine;hydrobromide?
The canonical SMILES for 4-ethyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine;hydrobromide is Br.[H]/N=c1\c2c(n(CC)c3c1CCC3)CCCC2.
What is the InChIKey of 4-ethyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine;hydrobromide?
The InChIKey is KDEBGIMNCASXLM-WPDLWGESSA-N. The full InChI is InChI=1S/C14H20N2.BrH/c1-2-16-12-8-4-3-6-10(12)14(15)11-7-5-9-13(11)16;/h15H,2-9H2,1H3;1H/b15-14+;.
What are the key properties of 4-ethyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine;hydrobromide?
4-ethyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine;hydrobromide has a molecular weight of 297.24 g/mol, XLogP of 2.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine;hydrobromide is sourced from PubChem (CID 16682138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).