3-(3,3-dimethylbutyl)quinoline

C15H19N — CID 58808300

IUPAC3-(3,3-dimethylbutyl)quinoline
SMILESCC(C)(C)CCc1cnc2ccccc2c1
InChIInChI=1S/C15H19N/c1-15(2,3)9-8-12-10-13-6-4-5-7-14(13)16-11-12/h4-7,10-11H,8-9H2,1-3H3
InChIKeyUELIHOGEZKPWLS-UHFFFAOYSA-N
MW213.32 g/mol
LogP4.21
Rot. Bonds2

About 3-(3,3-dimethylbutyl)quinoline

3-(3,3-dimethylbutyl)quinoline (PubChem CID 58808300) has the molecular formula C15H19N and a molecular weight of 213.32 g/mol. Its IUPAC name is 3-(3,3-dimethylbutyl)quinoline.

Molecular Properties

Compound Name3-(3,3-dimethylbutyl)quinoline
PubChem CID58808300
Molecular FormulaC15H19N
Molecular Weight213.32 g/mol
Exact Mass213.15
IUPAC Name3-(3,3-dimethylbutyl)quinoline
SMILESCC(C)(C)CCc1cnc2ccccc2c1
InChIInChI=1S/C15H19N/c1-15(2,3)9-8-12-10-13-6-4-5-7-14(13)16-11-12/h4-7,10-11H,8-9H2,1-3H3
InChIKeyUELIHOGEZKPWLS-UHFFFAOYSA-N
XLogP4.21
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-quinolin-3-ylethanol
CID 53403774
2-methyl-N-(3-quinolin-3-ylpropyl)propan-2-amine
CID 64506111
3-(3-chloro-4,4-dimethylpentyl)quinoline
CID 64507771
3-(3-bromo-4,4-dimethylpentyl)quinoline
CID 64506762
2-quinolin-3-ylethanamine;hydrochloride
CID 68724239
3-(2-methylpropyl)quinoline
CID 12072851
3-(2,2,2-trifluoroethyl)quinoline
CID 102230069
3-(2-phenoxyethyl)quinoline
CID 54129983
3-(3-chloro-4-methylpentyl)quinoline
CID 64508881
3-(3-ethoxypropyl)quinoline
CID 91801315
2-methyl-N-(quinolin-3-ylmethyl)butan-2-amine
CID 113231254
5,5-dimethyl-2-(quinolin-3-ylmethylamino)hexanoic acid
CID 175558772

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethylbutyl)quinoline?
The IUPAC name of 3-(3,3-dimethylbutyl)quinoline (CID 58808300) is 3-(3,3-dimethylbutyl)quinoline.
What is the SMILES notation for 3-(3,3-dimethylbutyl)quinoline?
The canonical SMILES for 3-(3,3-dimethylbutyl)quinoline is CC(C)(C)CCc1cnc2ccccc2c1.
What is the InChIKey of 3-(3,3-dimethylbutyl)quinoline?
The InChIKey is UELIHOGEZKPWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N/c1-15(2,3)9-8-12-10-13-6-4-5-7-14(13)16-11-12/h4-7,10-11H,8-9H2,1-3H3.
What are the key properties of 3-(3,3-dimethylbutyl)quinoline?
3-(3,3-dimethylbutyl)quinoline has a molecular weight of 213.32 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethylbutyl)quinoline is sourced from PubChem (CID 58808300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).