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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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).