(2R,4R)-4-(2,2-dimethylpropyl)-4,8-dimethyl-2-propyl-2,3-dihydro-1H-quinoline

C19H31N — CID 139220185

IUPAC(2R,4R)-4-(2,2-dimethylpropyl)-4,8-dimethyl-2-propyl-2,3-dihydro-1H-quinoline
SMILESCCC[C@@H]1C[C@@](C)(CC(C)(C)C)c2cccc(C)c2N1
InChIInChI=1S/C19H31N/c1-7-9-15-12-19(6,13-18(3,4)5)16-11-8-10-14(2)17(16)20-15/h8,10-11,15,20H,7,9,12-13H2,1-6H3/t15-,19+/m1/s1
InChIKeyFKMFGGHJBQAJGN-BEFAXECRSA-N
MW273.46 g/mol
LogP5.67
Rot. Bonds3

About (2R,4R)-4-(2,2-dimethylpropyl)-4,8-dimethyl-2-propyl-2,3-dihydro-1H-quinoline

(2R,4R)-4-(2,2-dimethylpropyl)-4,8-dimethyl-2-propyl-2,3-dihydro-1H-quinoline (PubChem CID 139220185) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is (2R,4R)-4-(2,2-dimethylpropyl)-4,8-dimethyl-2-propyl-2,3-dihydro-1H-quinoline.

Molecular Properties

Compound Name(2R,4R)-4-(2,2-dimethylpropyl)-4,8-dimethyl-2-propyl-2,3-dihydro-1H-quinoline
PubChem CID139220185
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC Name(2R,4R)-4-(2,2-dimethylpropyl)-4,8-dimethyl-2-propyl-2,3-dihydro-1H-quinoline
SMILESCCC[C@@H]1C[C@@](C)(CC(C)(C)C)c2cccc(C)c2N1
InChIInChI=1S/C19H31N/c1-7-9-15-12-19(6,13-18(3,4)5)16-11-8-10-14(2)17(16)20-15/h8,10-11,15,20H,7,9,12-13H2,1-6H3/t15-,19+/m1/s1
InChIKeyFKMFGGHJBQAJGN-BEFAXECRSA-N
XLogP5.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.46
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-(2,2-dimethylpropyl)-4,8-dimethyl-2-propyl-2,3-dihydro-1H-quinoline?
The IUPAC name of (2R,4R)-4-(2,2-dimethylpropyl)-4,8-dimethyl-2-propyl-2,3-dihydro-1H-quinoline (CID 139220185) is (2R,4R)-4-(2,2-dimethylpropyl)-4,8-dimethyl-2-propyl-2,3-dihydro-1H-quinoline.
What is the SMILES notation for (2R,4R)-4-(2,2-dimethylpropyl)-4,8-dimethyl-2-propyl-2,3-dihydro-1H-quinoline?
The canonical SMILES for (2R,4R)-4-(2,2-dimethylpropyl)-4,8-dimethyl-2-propyl-2,3-dihydro-1H-quinoline is CCC[C@@H]1C[C@@](C)(CC(C)(C)C)c2cccc(C)c2N1.
What is the InChIKey of (2R,4R)-4-(2,2-dimethylpropyl)-4,8-dimethyl-2-propyl-2,3-dihydro-1H-quinoline?
The InChIKey is FKMFGGHJBQAJGN-BEFAXECRSA-N. The full InChI is InChI=1S/C19H31N/c1-7-9-15-12-19(6,13-18(3,4)5)16-11-8-10-14(2)17(16)20-15/h8,10-11,15,20H,7,9,12-13H2,1-6H3/t15-,19+/m1/s1.
What are the key properties of (2R,4R)-4-(2,2-dimethylpropyl)-4,8-dimethyl-2-propyl-2,3-dihydro-1H-quinoline?
(2R,4R)-4-(2,2-dimethylpropyl)-4,8-dimethyl-2-propyl-2,3-dihydro-1H-quinoline has a molecular weight of 273.46 g/mol, XLogP of 5.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-(2,2-dimethylpropyl)-4,8-dimethyl-2-propyl-2,3-dihydro-1H-quinoline is sourced from PubChem (CID 139220185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).