3-[[(2-ethyl-5,6,7,8-tetrahydroquinolin-5-yl)amino]methyl]cyclopentan-1-one

C17H24N2O — CID 166703544

IUPAC3-[[(2-ethyl-5,6,7,8-tetrahydroquinolin-5-yl)amino]methyl]cyclopentan-1-one
SMILESCCc1ccc2c(n1)CCCC2NCC1CCC(=O)C1
InChIInChI=1S/C17H24N2O/c1-2-13-7-9-15-16(4-3-5-17(15)19-13)18-11-12-6-8-14(20)10-12/h7,9,12,16,18H,2-6,8,10-11H2,1H3
InChIKeyKTXBZFLPDWPURH-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.98
Rot. Bonds4

About 3-[[(2-ethyl-5,6,7,8-tetrahydroquinolin-5-yl)amino]methyl]cyclopentan-1-one

3-[[(2-ethyl-5,6,7,8-tetrahydroquinolin-5-yl)amino]methyl]cyclopentan-1-one (PubChem CID 166703544) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 3-[[(2-ethyl-5,6,7,8-tetrahydroquinolin-5-yl)amino]methyl]cyclopentan-1-one.

Molecular Properties

Compound Name3-[[(2-ethyl-5,6,7,8-tetrahydroquinolin-5-yl)amino]methyl]cyclopentan-1-one
PubChem CID166703544
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name3-[[(2-ethyl-5,6,7,8-tetrahydroquinolin-5-yl)amino]methyl]cyclopentan-1-one
SMILESCCc1ccc2c(n1)CCCC2NCC1CCC(=O)C1
InChIInChI=1S/C17H24N2O/c1-2-13-7-9-15-16(4-3-5-17(15)19-13)18-11-12-6-8-14(20)10-12/h7,9,12,16,18H,2-6,8,10-11H2,1H3
InChIKeyKTXBZFLPDWPURH-UHFFFAOYSA-N
XLogP2.98
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[(2-ethyl-5,6,7,8-tetrahydroquinolin-5-yl)amino]methyl]cyclopentan-1-one?
The IUPAC name of 3-[[(2-ethyl-5,6,7,8-tetrahydroquinolin-5-yl)amino]methyl]cyclopentan-1-one (CID 166703544) is 3-[[(2-ethyl-5,6,7,8-tetrahydroquinolin-5-yl)amino]methyl]cyclopentan-1-one.
What is the SMILES notation for 3-[[(2-ethyl-5,6,7,8-tetrahydroquinolin-5-yl)amino]methyl]cyclopentan-1-one?
The canonical SMILES for 3-[[(2-ethyl-5,6,7,8-tetrahydroquinolin-5-yl)amino]methyl]cyclopentan-1-one is CCc1ccc2c(n1)CCCC2NCC1CCC(=O)C1.
What is the InChIKey of 3-[[(2-ethyl-5,6,7,8-tetrahydroquinolin-5-yl)amino]methyl]cyclopentan-1-one?
The InChIKey is KTXBZFLPDWPURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-2-13-7-9-15-16(4-3-5-17(15)19-13)18-11-12-6-8-14(20)10-12/h7,9,12,16,18H,2-6,8,10-11H2,1H3.
What are the key properties of 3-[[(2-ethyl-5,6,7,8-tetrahydroquinolin-5-yl)amino]methyl]cyclopentan-1-one?
3-[[(2-ethyl-5,6,7,8-tetrahydroquinolin-5-yl)amino]methyl]cyclopentan-1-one has a molecular weight of 272.39 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-ethyl-5,6,7,8-tetrahydroquinolin-5-yl)amino]methyl]cyclopentan-1-one is sourced from PubChem (CID 166703544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).