6-chloro-4-(2,2-dimethylpropyl)-4-methyl-2-propyl-2,3,4a,5-tetrahydro-1H-quinoline

C18H30ClN — CID 139220215

IUPAC6-chloro-4-(2,2-dimethylpropyl)-4-methyl-2-propyl-2,3,4a,5-tetrahydro-1H-quinoline
SMILESCCCC1CC(C)(CC(C)(C)C)C2CC(Cl)=CC=C2N1
InChIInChI=1S/C18H30ClN/c1-6-7-14-11-18(5,12-17(2,3)4)15-10-13(19)8-9-16(15)20-14/h8-9,14-15,20H,6-7,10-12H2,1-5H3
InChIKeyTYMACHHBEKBIQA-UHFFFAOYSA-N
MW295.90 g/mol
LogP5.62
Rot. Bonds3

About 6-chloro-4-(2,2-dimethylpropyl)-4-methyl-2-propyl-2,3,4a,5-tetrahydro-1H-quinoline

6-chloro-4-(2,2-dimethylpropyl)-4-methyl-2-propyl-2,3,4a,5-tetrahydro-1H-quinoline (PubChem CID 139220215) has the molecular formula C18H30ClN and a molecular weight of 295.90 g/mol. Its IUPAC name is 6-chloro-4-(2,2-dimethylpropyl)-4-methyl-2-propyl-2,3,4a,5-tetrahydro-1H-quinoline.

Molecular Properties

Compound Name6-chloro-4-(2,2-dimethylpropyl)-4-methyl-2-propyl-2,3,4a,5-tetrahydro-1H-quinoline
PubChem CID139220215
Molecular FormulaC18H30ClN
Molecular Weight295.90 g/mol
Exact Mass295.21
IUPAC Name6-chloro-4-(2,2-dimethylpropyl)-4-methyl-2-propyl-2,3,4a,5-tetrahydro-1H-quinoline
SMILESCCCC1CC(C)(CC(C)(C)C)C2CC(Cl)=CC=C2N1
InChIInChI=1S/C18H30ClN/c1-6-7-14-11-18(5,12-17(2,3)4)15-10-13(19)8-9-16(15)20-14/h8-9,14-15,20H,6-7,10-12H2,1-5H3
InChIKeyTYMACHHBEKBIQA-UHFFFAOYSA-N
XLogP5.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.90
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(2,2-dimethylpropyl)-4-methyl-2-propyl-2,3,4a,5-tetrahydro-1H-quinoline?
The IUPAC name of 6-chloro-4-(2,2-dimethylpropyl)-4-methyl-2-propyl-2,3,4a,5-tetrahydro-1H-quinoline (CID 139220215) is 6-chloro-4-(2,2-dimethylpropyl)-4-methyl-2-propyl-2,3,4a,5-tetrahydro-1H-quinoline.
What is the SMILES notation for 6-chloro-4-(2,2-dimethylpropyl)-4-methyl-2-propyl-2,3,4a,5-tetrahydro-1H-quinoline?
The canonical SMILES for 6-chloro-4-(2,2-dimethylpropyl)-4-methyl-2-propyl-2,3,4a,5-tetrahydro-1H-quinoline is CCCC1CC(C)(CC(C)(C)C)C2CC(Cl)=CC=C2N1.
What is the InChIKey of 6-chloro-4-(2,2-dimethylpropyl)-4-methyl-2-propyl-2,3,4a,5-tetrahydro-1H-quinoline?
The InChIKey is TYMACHHBEKBIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30ClN/c1-6-7-14-11-18(5,12-17(2,3)4)15-10-13(19)8-9-16(15)20-14/h8-9,14-15,20H,6-7,10-12H2,1-5H3.
What are the key properties of 6-chloro-4-(2,2-dimethylpropyl)-4-methyl-2-propyl-2,3,4a,5-tetrahydro-1H-quinoline?
6-chloro-4-(2,2-dimethylpropyl)-4-methyl-2-propyl-2,3,4a,5-tetrahydro-1H-quinoline has a molecular weight of 295.90 g/mol, XLogP of 5.62, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(2,2-dimethylpropyl)-4-methyl-2-propyl-2,3,4a,5-tetrahydro-1H-quinoline is sourced from PubChem (CID 139220215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).