1-butyl-4,4-dimethyl-2,3-dihydroquinoline

C15H23N — CID 167020051

IUPAC1-butyl-4,4-dimethyl-2,3-dihydroquinoline
SMILESCCCCN1CCC(C)(C)c2ccccc21
InChIInChI=1S/C15H23N/c1-4-5-11-16-12-10-15(2,3)13-8-6-7-9-14(13)16/h6-9H,4-5,10-12H2,1-3H3
InChIKeyAPEDWELEPHVKIU-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.97
Rot. Bonds3

About 1-butyl-4,4-dimethyl-2,3-dihydroquinoline

1-butyl-4,4-dimethyl-2,3-dihydroquinoline (PubChem CID 167020051) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 1-butyl-4,4-dimethyl-2,3-dihydroquinoline.

Molecular Properties

Compound Name1-butyl-4,4-dimethyl-2,3-dihydroquinoline
PubChem CID167020051
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name1-butyl-4,4-dimethyl-2,3-dihydroquinoline
SMILESCCCCN1CCC(C)(C)c2ccccc21
InChIInChI=1S/C15H23N/c1-4-5-11-16-12-10-15(2,3)13-8-6-7-9-14(13)16/h6-9H,4-5,10-12H2,1-3H3
InChIKeyAPEDWELEPHVKIU-UHFFFAOYSA-N
XLogP3.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-butyl-2,3-dihydroindole
CID 4167209
1-(4,4-dimethyl-2,3-dihydroquinolin-1-yl)propan-1-one;ethane
CID 142121679
2-(3,3-dimethyl-2H-indol-1-yl)ethanamine
CID 83752978
1-butyl-3-methyl-2H-benzimidazole;hydrofluoride
CID 173351817
(4,4-dimethyl-2,3-dihydroquinolin-1-yl)-phenylmethanone
CID 71830919
2-spiro[2,3-dihydroquinoline-4,1'-cyclopropane]-1-ylethanamine
CID 86712779
CID 174524249
CID 174524249
6-(5-hydroxy-4,4-dimethyl-2,3-dihydroquinolin-1-yl)hexanoic acid
CID 135232503
1-heptyl-3,4-dihydro-2H-quinoline
CID 154324891
3-(7-bromo-6-ethyl-4,4-dimethyl-2,3-dihydroquinolin-1-yl)propan-1-ol
CID 70215174
1-butyl-2,2-dimethyl-3H-indole
CID 18788042
1,3-bis(1-butyl-3,3-dimethyl-2H-indol-2-yl)propan-2-one
CID 59773729

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4,4-dimethyl-2,3-dihydroquinoline?
The IUPAC name of 1-butyl-4,4-dimethyl-2,3-dihydroquinoline (CID 167020051) is 1-butyl-4,4-dimethyl-2,3-dihydroquinoline.
What is the SMILES notation for 1-butyl-4,4-dimethyl-2,3-dihydroquinoline?
The canonical SMILES for 1-butyl-4,4-dimethyl-2,3-dihydroquinoline is CCCCN1CCC(C)(C)c2ccccc21.
What is the InChIKey of 1-butyl-4,4-dimethyl-2,3-dihydroquinoline?
The InChIKey is APEDWELEPHVKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-4-5-11-16-12-10-15(2,3)13-8-6-7-9-14(13)16/h6-9H,4-5,10-12H2,1-3H3.
What are the key properties of 1-butyl-4,4-dimethyl-2,3-dihydroquinoline?
1-butyl-4,4-dimethyl-2,3-dihydroquinoline has a molecular weight of 217.36 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4,4-dimethyl-2,3-dihydroquinoline is sourced from PubChem (CID 167020051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).