1-butyl-5,6,7,8-tetrahydro-2H-quinolin-3-ol

C13H21NO — CID 141055295

IUPAC1-butyl-5,6,7,8-tetrahydro-2H-quinolin-3-ol
SMILESCCCCN1CC(O)=CC2=C1CCCC2
InChIInChI=1S/C13H21NO/c1-2-3-8-14-10-12(15)9-11-6-4-5-7-13(11)14/h9,15H,2-8,10H2,1H3
InChIKeyNIQGCTAVENJJOI-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.37
Rot. Bonds3

About 1-butyl-5,6,7,8-tetrahydro-2H-quinolin-3-ol

1-butyl-5,6,7,8-tetrahydro-2H-quinolin-3-ol (PubChem CID 141055295) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-butyl-5,6,7,8-tetrahydro-2H-quinolin-3-ol.

Molecular Properties

Compound Name1-butyl-5,6,7,8-tetrahydro-2H-quinolin-3-ol
PubChem CID141055295
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name1-butyl-5,6,7,8-tetrahydro-2H-quinolin-3-ol
SMILESCCCCN1CC(O)=CC2=C1CCCC2
InChIInChI=1S/C13H21NO/c1-2-3-8-14-10-12(15)9-11-6-4-5-7-13(11)14/h9,15H,2-8,10H2,1H3
InChIKeyNIQGCTAVENJJOI-UHFFFAOYSA-N
XLogP3.37
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,2,5,6,7,8-Hexahydroquinolin-3-ol
CID 123491822
2-Methyl-1-[methyl-(4-methylcyclohexa-1,3-dien-1-yl)amino]propan-2-ol
CID 139317796
(E)-1-[(5E)-5-ethyl-2,13-dimethyl-11-[(Z)-prop-1-enyl]-2-azabicyclo[7.3.1]trideca-5,7,9(13),10-tetraen-10-yl]prop-1-en-2-ol
CID 173926838

Frequently Asked Questions

What is the IUPAC name of 1-butyl-5,6,7,8-tetrahydro-2H-quinolin-3-ol?
The IUPAC name of 1-butyl-5,6,7,8-tetrahydro-2H-quinolin-3-ol (CID 141055295) is 1-butyl-5,6,7,8-tetrahydro-2H-quinolin-3-ol.
What is the SMILES notation for 1-butyl-5,6,7,8-tetrahydro-2H-quinolin-3-ol?
The canonical SMILES for 1-butyl-5,6,7,8-tetrahydro-2H-quinolin-3-ol is CCCCN1CC(O)=CC2=C1CCCC2.
What is the InChIKey of 1-butyl-5,6,7,8-tetrahydro-2H-quinolin-3-ol?
The InChIKey is NIQGCTAVENJJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-2-3-8-14-10-12(15)9-11-6-4-5-7-13(11)14/h9,15H,2-8,10H2,1H3.
What are the key properties of 1-butyl-5,6,7,8-tetrahydro-2H-quinolin-3-ol?
1-butyl-5,6,7,8-tetrahydro-2H-quinolin-3-ol has a molecular weight of 207.32 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-5,6,7,8-tetrahydro-2H-quinolin-3-ol is sourced from PubChem (CID 141055295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).