5-(3,3-dimethylbutoxy)quinoline

C15H19NO — CID 59667943

IUPAC5-(3,3-dimethylbutoxy)quinoline
SMILESCC(C)(C)CCOc1cccc2ncccc12
InChIInChI=1S/C15H19NO/c1-15(2,3)9-11-17-14-8-4-7-13-12(14)6-5-10-16-13/h4-8,10H,9,11H2,1-3H3
InChIKeyKMWIEGWPPXPPEH-UHFFFAOYSA-N
MW229.32 g/mol
LogP4.05
Rot. Bonds3

About 5-(3,3-dimethylbutoxy)quinoline

5-(3,3-dimethylbutoxy)quinoline (PubChem CID 59667943) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 5-(3,3-dimethylbutoxy)quinoline.

Molecular Properties

Compound Name5-(3,3-dimethylbutoxy)quinoline
PubChem CID59667943
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name5-(3,3-dimethylbutoxy)quinoline
SMILESCC(C)(C)CCOc1cccc2ncccc12
InChIInChI=1S/C15H19NO/c1-15(2,3)9-11-17-14-8-4-7-13-12(14)6-5-10-16-13/h4-8,10H,9,11H2,1-3H3
InChIKeyKMWIEGWPPXPPEH-UHFFFAOYSA-N
XLogP4.05
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-2-methyl-6-quinolin-5-yloxyhexan-2-ol
CID 103046046
2-methyl-2-(methylamino)-5-quinolin-5-yloxypentanenitrile
CID 103045530
3-(3,3-dimethylbutoxy)pyridin-2-amine
CID 61481527
5-(9-bromononoxy)quinoline
CID 103044601
6-quinolin-5-yloxyhexane-1-thiol
CID 103046109
5-(3,3-dimethylbutoxy)quinolin-8-amine
CID 66233789
2-ethyl-2-(methylamino)-5-quinolin-5-yloxypentan-1-ol
CID 106810724
4-(2-quinolin-5-yloxyethoxy)aniline
CID 103044211
N-(2-quinolin-5-yloxyethyl)pentan-3-amine
CID 103045833
5-(5-chloro-3-methylpentoxy)quinoline
CID 103044594
N-(3,3-dimethylbutyl)quinolin-5-amine
CID 62965995
N,2-dimethyl-2-quinolin-5-yloxypropan-1-amine
CID 103045718

Frequently Asked Questions

What is the IUPAC name of 5-(3,3-dimethylbutoxy)quinoline?
The IUPAC name of 5-(3,3-dimethylbutoxy)quinoline (CID 59667943) is 5-(3,3-dimethylbutoxy)quinoline.
What is the SMILES notation for 5-(3,3-dimethylbutoxy)quinoline?
The canonical SMILES for 5-(3,3-dimethylbutoxy)quinoline is CC(C)(C)CCOc1cccc2ncccc12.
What is the InChIKey of 5-(3,3-dimethylbutoxy)quinoline?
The InChIKey is KMWIEGWPPXPPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-15(2,3)9-11-17-14-8-4-7-13-12(14)6-5-10-16-13/h4-8,10H,9,11H2,1-3H3.
What are the key properties of 5-(3,3-dimethylbutoxy)quinoline?
5-(3,3-dimethylbutoxy)quinoline has a molecular weight of 229.32 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-dimethylbutoxy)quinoline is sourced from PubChem (CID 59667943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).