N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)-2,2-dimethylpropanamide

C17H24N2O — CID 657647

IUPACN-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1c2c(nc3c1CCC3)CCCC2
InChIInChI=1S/C17H24N2O/c1-17(2,3)16(20)19-15-11-7-4-5-9-13(11)18-14-10-6-8-12(14)15/h4-10H2,1-3H3,(H,18,19,20)
InChIKeyZKZMIZQCKBSARJ-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.43
Rot. Bonds1

About N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)-2,2-dimethylpropanamide

N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)-2,2-dimethylpropanamide (PubChem CID 657647) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)-2,2-dimethylpropanamide
PubChem CID657647
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1c2c(nc3c1CCC3)CCCC2
InChIInChI=1S/C17H24N2O/c1-17(2,3)16(20)19-15-11-7-4-5-9-13(11)18-14-10-6-8-12(14)15/h4-10H2,1-3H3,(H,18,19,20)
InChIKeyZKZMIZQCKBSARJ-UHFFFAOYSA-N
XLogP3.43
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)-2,2-dimethylpropanamide?
The IUPAC name of N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)-2,2-dimethylpropanamide (CID 657647) is N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1c2c(nc3c1CCC3)CCCC2.
What is the InChIKey of N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)-2,2-dimethylpropanamide?
The InChIKey is ZKZMIZQCKBSARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-17(2,3)16(20)19-15-11-7-4-5-9-13(11)18-14-10-6-8-12(14)15/h4-10H2,1-3H3,(H,18,19,20).
What are the key properties of N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)-2,2-dimethylpropanamide?
N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)-2,2-dimethylpropanamide has a molecular weight of 272.39 g/mol, XLogP of 3.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)-2,2-dimethylpropanamide is sourced from PubChem (CID 657647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).