7-butyl-2,3,4,6-tetrahydro-1H-isoquinolin-7-ol

C13H21NO — CID 175809370

IUPAC7-butyl-2,3,4,6-tetrahydro-1H-isoquinolin-7-ol
SMILESCCCCC1(O)C=C2CNCCC2=CC1
InChIInChI=1S/C13H21NO/c1-2-3-6-13(15)7-4-11-5-8-14-10-12(11)9-13/h4,9,14-15H,2-3,5-8,10H2,1H3
InChIKeyHIKAUICANDMDPT-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.16
Rot. Bonds3

About 7-butyl-2,3,4,6-tetrahydro-1H-isoquinolin-7-ol

7-butyl-2,3,4,6-tetrahydro-1H-isoquinolin-7-ol (PubChem CID 175809370) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 7-butyl-2,3,4,6-tetrahydro-1H-isoquinolin-7-ol.

Molecular Properties

Compound Name7-butyl-2,3,4,6-tetrahydro-1H-isoquinolin-7-ol
PubChem CID175809370
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name7-butyl-2,3,4,6-tetrahydro-1H-isoquinolin-7-ol
SMILESCCCCC1(O)C=C2CNCCC2=CC1
InChIInChI=1S/C13H21NO/c1-2-3-6-13(15)7-4-11-5-8-14-10-12(11)9-13/h4,9,14-15H,2-3,5-8,10H2,1H3
InChIKeyHIKAUICANDMDPT-UHFFFAOYSA-N
XLogP2.16
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-butyl-2,3,4,6-tetrahydro-1H-isoquinolin-7-ol?
The IUPAC name of 7-butyl-2,3,4,6-tetrahydro-1H-isoquinolin-7-ol (CID 175809370) is 7-butyl-2,3,4,6-tetrahydro-1H-isoquinolin-7-ol.
What is the SMILES notation for 7-butyl-2,3,4,6-tetrahydro-1H-isoquinolin-7-ol?
The canonical SMILES for 7-butyl-2,3,4,6-tetrahydro-1H-isoquinolin-7-ol is CCCCC1(O)C=C2CNCCC2=CC1.
What is the InChIKey of 7-butyl-2,3,4,6-tetrahydro-1H-isoquinolin-7-ol?
The InChIKey is HIKAUICANDMDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-2-3-6-13(15)7-4-11-5-8-14-10-12(11)9-13/h4,9,14-15H,2-3,5-8,10H2,1H3.
What are the key properties of 7-butyl-2,3,4,6-tetrahydro-1H-isoquinolin-7-ol?
7-butyl-2,3,4,6-tetrahydro-1H-isoquinolin-7-ol has a molecular weight of 207.32 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butyl-2,3,4,6-tetrahydro-1H-isoquinolin-7-ol is sourced from PubChem (CID 175809370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).