7-(2-methylpropyl)-5,6,7,8-tetrahydroisoquinoline

C13H19N — CID 169193360

IUPAC7-(2-methylpropyl)-5,6,7,8-tetrahydroisoquinoline
SMILESCC(C)CC1CCc2ccncc2C1
InChIInChI=1S/C13H19N/c1-10(2)7-11-3-4-12-5-6-14-9-13(12)8-11/h5-6,9-11H,3-4,7-8H2,1-2H3
InChIKeyIBAKWRKQYYDUIN-UHFFFAOYSA-N
MW189.30 g/mol
LogP3.23
Rot. Bonds2

About 7-(2-methylpropyl)-5,6,7,8-tetrahydroisoquinoline

7-(2-methylpropyl)-5,6,7,8-tetrahydroisoquinoline (PubChem CID 169193360) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 7-(2-methylpropyl)-5,6,7,8-tetrahydroisoquinoline.

Molecular Properties

Compound Name7-(2-methylpropyl)-5,6,7,8-tetrahydroisoquinoline
PubChem CID169193360
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name7-(2-methylpropyl)-5,6,7,8-tetrahydroisoquinoline
SMILESCC(C)CC1CCc2ccncc2C1
InChIInChI=1S/C13H19N/c1-10(2)7-11-3-4-12-5-6-14-9-13(12)8-11/h5-6,9-11H,3-4,7-8H2,1-2H3
InChIKeyIBAKWRKQYYDUIN-UHFFFAOYSA-N
XLogP3.23
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine
CID 142220956
2,3-dimethylbutane;6-methyl-5,6,7,8-tetrahydroisoquinoline;sulfane
CID 142276554
7-(4,5-dihydro-1H-imidazol-5-ylmethyl)-5,6,7,8-tetrahydroisoquinoline
CID 142035491
6-(2-methylpropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
CID 170260134
2-(4-methylpentyl)-1,2,3,4-tetrahydronaphthalene
CID 102001272
7-ethyl-6,7-dihydro-5H-cyclopenta[c]pyridine
CID 59145627
6-tert-butyl-6,7-dihydro-5H-cyclopenta[c]pyridine
CID 69281677
6-(2-ethyl-3-methylbutyl)-1-methyl-5,6,7,8-tetrahydroisoquinoline
CID 166139723
2,3-di(propan-2-yl)-3,4-dihydro-1H-2,6-naphthyridine
CID 165372704
(5S)-5-(2-methylpropyl)piperidin-2-one
CID 172505692
ethane;(5S)-5-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine
CID 170960546
5-(2-methylsulfanylpropyl)-5,6,7,8-tetrahydroisoquinoline
CID 146618111

Frequently Asked Questions

What is the IUPAC name of 7-(2-methylpropyl)-5,6,7,8-tetrahydroisoquinoline?
The IUPAC name of 7-(2-methylpropyl)-5,6,7,8-tetrahydroisoquinoline (CID 169193360) is 7-(2-methylpropyl)-5,6,7,8-tetrahydroisoquinoline.
What is the SMILES notation for 7-(2-methylpropyl)-5,6,7,8-tetrahydroisoquinoline?
The canonical SMILES for 7-(2-methylpropyl)-5,6,7,8-tetrahydroisoquinoline is CC(C)CC1CCc2ccncc2C1.
What is the InChIKey of 7-(2-methylpropyl)-5,6,7,8-tetrahydroisoquinoline?
The InChIKey is IBAKWRKQYYDUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-10(2)7-11-3-4-12-5-6-14-9-13(12)8-11/h5-6,9-11H,3-4,7-8H2,1-2H3.
What are the key properties of 7-(2-methylpropyl)-5,6,7,8-tetrahydroisoquinoline?
7-(2-methylpropyl)-5,6,7,8-tetrahydroisoquinoline has a molecular weight of 189.30 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methylpropyl)-5,6,7,8-tetrahydroisoquinoline is sourced from PubChem (CID 169193360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).