8-(3-chloro-4,4-dimethylpentyl)-5,6,7,8-tetrahydroquinoline

C16H24ClN — CID 79738883

IUPAC8-(3-chloro-4,4-dimethylpentyl)-5,6,7,8-tetrahydroquinoline
SMILESCC(C)(C)C(Cl)CCC1CCCc2cccnc21
InChIInChI=1S/C16H24ClN/c1-16(2,3)14(17)10-9-13-7-4-6-12-8-5-11-18-15(12)13/h5,8,11,13-14H,4,6-7,9-10H2,1-3H3
InChIKeyVBOXKQDAWJXEDH-UHFFFAOYSA-N
MW265.83 g/mol
LogP4.94
Rot. Bonds3

About 8-(3-chloro-4,4-dimethylpentyl)-5,6,7,8-tetrahydroquinoline

8-(3-chloro-4,4-dimethylpentyl)-5,6,7,8-tetrahydroquinoline (PubChem CID 79738883) has the molecular formula C16H24ClN and a molecular weight of 265.83 g/mol. Its IUPAC name is 8-(3-chloro-4,4-dimethylpentyl)-5,6,7,8-tetrahydroquinoline.

Molecular Properties

Compound Name8-(3-chloro-4,4-dimethylpentyl)-5,6,7,8-tetrahydroquinoline
PubChem CID79738883
Molecular FormulaC16H24ClN
Molecular Weight265.83 g/mol
Exact Mass265.16
IUPAC Name8-(3-chloro-4,4-dimethylpentyl)-5,6,7,8-tetrahydroquinoline
SMILESCC(C)(C)C(Cl)CCC1CCCc2cccnc21
InChIInChI=1S/C16H24ClN/c1-16(2,3)14(17)10-9-13-7-4-6-12-8-5-11-18-15(12)13/h5,8,11,13-14H,4,6-7,9-10H2,1-3H3
InChIKeyVBOXKQDAWJXEDH-UHFFFAOYSA-N
XLogP4.94
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.83
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 8-(3-chloro-4,4-dimethylpentyl)-5,6,7,8-tetrahydroquinoline with MolForge

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Related Compounds

3-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-amine
CID 19851779
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)pentan-3-ol
CID 79738601
N-propyl-3-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-amine
CID 79738591
8-[(E)-but-2-enyl]-5,6,7,8-tetrahydroquinoline
CID 67125733
2-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]acetaldehyde
CID 93476901
5,6,7,8-tetrahydroquinolin-8-ylmethylhydrazine
CID 105220811
2-(5,6,7,8-tetrahydroquinolin-8-yl)propan-2-ol
CID 79740095
(8S)-5,6,7,8-tetrahydroquinolin-8-amine
CID 12031071
[2,2-dimethyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)propyl]hydrazine
CID 105203138
(8R)-8-propan-2-yl-5,6,7,8-tetrahydroquinoline
CID 58752937
8-pentan-2-yl-5,6,7,8-tetrahydroquinoline
CID 67125718
8-(4-bromo-2-methylpentan-2-yl)-5,6,7,8-tetrahydroquinoline
CID 79738706

Frequently Asked Questions

What is the IUPAC name of 8-(3-chloro-4,4-dimethylpentyl)-5,6,7,8-tetrahydroquinoline?
The IUPAC name of 8-(3-chloro-4,4-dimethylpentyl)-5,6,7,8-tetrahydroquinoline (CID 79738883) is 8-(3-chloro-4,4-dimethylpentyl)-5,6,7,8-tetrahydroquinoline.
What is the SMILES notation for 8-(3-chloro-4,4-dimethylpentyl)-5,6,7,8-tetrahydroquinoline?
The canonical SMILES for 8-(3-chloro-4,4-dimethylpentyl)-5,6,7,8-tetrahydroquinoline is CC(C)(C)C(Cl)CCC1CCCc2cccnc21.
What is the InChIKey of 8-(3-chloro-4,4-dimethylpentyl)-5,6,7,8-tetrahydroquinoline?
The InChIKey is VBOXKQDAWJXEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN/c1-16(2,3)14(17)10-9-13-7-4-6-12-8-5-11-18-15(12)13/h5,8,11,13-14H,4,6-7,9-10H2,1-3H3.
What are the key properties of 8-(3-chloro-4,4-dimethylpentyl)-5,6,7,8-tetrahydroquinoline?
8-(3-chloro-4,4-dimethylpentyl)-5,6,7,8-tetrahydroquinoline has a molecular weight of 265.83 g/mol, XLogP of 4.94, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-chloro-4,4-dimethylpentyl)-5,6,7,8-tetrahydroquinoline is sourced from PubChem (CID 79738883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).