1-butyl-3,4-dihydro-2H-quinoline

C13H19N — CID 10241606

IUPAC1-butyl-3,4-dihydro-2H-quinoline
SMILESCCCCN1CCCc2ccccc21
InChIInChI=1S/C13H19N/c1-2-3-10-14-11-6-8-12-7-4-5-9-13(12)14/h4-5,7,9H,2-3,6,8,10-11H2,1H3
InChIKeyHIWBVBCKPRGRCD-UHFFFAOYSA-N
MW189.30 g/mol
LogP3.24
Rot. Bonds3

About 1-butyl-3,4-dihydro-2H-quinoline

1-butyl-3,4-dihydro-2H-quinoline (PubChem CID 10241606) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 1-butyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-butyl-3,4-dihydro-2H-quinoline
PubChem CID10241606
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name1-butyl-3,4-dihydro-2H-quinoline
SMILESCCCCN1CCCc2ccccc21
InChIInChI=1S/C13H19N/c1-2-3-10-14-11-6-8-12-7-4-5-9-13(12)14/h4-5,7,9H,2-3,6,8,10-11H2,1H3
InChIKeyHIWBVBCKPRGRCD-UHFFFAOYSA-N
XLogP3.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-butyl-3,4-dihydro-2H-quinoline (CID 10241606) is 1-butyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-butyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-butyl-3,4-dihydro-2H-quinoline is CCCCN1CCCc2ccccc21.
What is the InChIKey of 1-butyl-3,4-dihydro-2H-quinoline?
The InChIKey is HIWBVBCKPRGRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-2-3-10-14-11-6-8-12-7-4-5-9-13(12)14/h4-5,7,9H,2-3,6,8,10-11H2,1H3.
What are the key properties of 1-butyl-3,4-dihydro-2H-quinoline?
1-butyl-3,4-dihydro-2H-quinoline has a molecular weight of 189.30 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 10241606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).