5-ethyl-6-(methylaminomethyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]quinolin-2-ol

C16H24N2O — CID 143229085

IUPAC5-ethyl-6-(methylaminomethyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]quinolin-2-ol
SMILESCCN1CC2CC(O)CC2c2cccc(CNC)c21
InChIInChI=1S/C16H24N2O/c1-3-18-10-12-7-13(19)8-15(12)14-6-4-5-11(9-17-2)16(14)18/h4-6,12-13,15,17,19H,3,7-10H2,1-2H3
InChIKeyVSEGSXNCGWIIPQ-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.10
Rot. Bonds3

About 5-ethyl-6-(methylaminomethyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]quinolin-2-ol

5-ethyl-6-(methylaminomethyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]quinolin-2-ol (PubChem CID 143229085) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 5-ethyl-6-(methylaminomethyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]quinolin-2-ol.

Molecular Properties

Compound Name5-ethyl-6-(methylaminomethyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]quinolin-2-ol
PubChem CID143229085
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name5-ethyl-6-(methylaminomethyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]quinolin-2-ol
SMILESCCN1CC2CC(O)CC2c2cccc(CNC)c21
InChIInChI=1S/C16H24N2O/c1-3-18-10-12-7-13(19)8-15(12)14-6-4-5-11(9-17-2)16(14)18/h4-6,12-13,15,17,19H,3,7-10H2,1-2H3
InChIKeyVSEGSXNCGWIIPQ-UHFFFAOYSA-N
XLogP2.10
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-(methylaminomethyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]quinolin-2-ol?
The IUPAC name of 5-ethyl-6-(methylaminomethyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]quinolin-2-ol (CID 143229085) is 5-ethyl-6-(methylaminomethyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]quinolin-2-ol.
What is the SMILES notation for 5-ethyl-6-(methylaminomethyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]quinolin-2-ol?
The canonical SMILES for 5-ethyl-6-(methylaminomethyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]quinolin-2-ol is CCN1CC2CC(O)CC2c2cccc(CNC)c21.
What is the InChIKey of 5-ethyl-6-(methylaminomethyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]quinolin-2-ol?
The InChIKey is VSEGSXNCGWIIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-3-18-10-12-7-13(19)8-15(12)14-6-4-5-11(9-17-2)16(14)18/h4-6,12-13,15,17,19H,3,7-10H2,1-2H3.
What are the key properties of 5-ethyl-6-(methylaminomethyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]quinolin-2-ol?
5-ethyl-6-(methylaminomethyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]quinolin-2-ol has a molecular weight of 260.38 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-(methylaminomethyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]quinolin-2-ol is sourced from PubChem (CID 143229085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).