7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;7-propan-2-yl-1,2,3,4-tetrahydroquinoline

C24H34N2 — CID 170791399

IUPAC7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;7-propan-2-yl-1,2,3,4-tetrahydroquinoline
SMILESCC(C)c1ccc2c(c1)CNCC2.CC(C)c1ccc2c(c1)NCCC2
InChIInChI=1S/2C12H17N/c1-9(2)11-4-3-10-5-6-13-8-12(10)7-11;1-9(2)11-6-5-10-4-3-7-13-12(10)8-11/h3-4,7,9,13H,5-6,8H2,1-2H3;5-6,8-9,13H,3-4,7H2,1-2H3
InChIKeyPJUDMNXDIBZSEV-UHFFFAOYSA-N
MW350.55 g/mol
LogP5.62
Rot. Bonds2

About 7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;7-propan-2-yl-1,2,3,4-tetrahydroquinoline

7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;7-propan-2-yl-1,2,3,4-tetrahydroquinoline (PubChem CID 170791399) has the molecular formula C24H34N2 and a molecular weight of 350.55 g/mol. Its IUPAC name is 7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;7-propan-2-yl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;7-propan-2-yl-1,2,3,4-tetrahydroquinoline
PubChem CID170791399
Molecular FormulaC24H34N2
Molecular Weight350.55 g/mol
Exact Mass350.27
IUPAC Name7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;7-propan-2-yl-1,2,3,4-tetrahydroquinoline
SMILESCC(C)c1ccc2c(c1)CNCC2.CC(C)c1ccc2c(c1)NCCC2
InChIInChI=1S/2C12H17N/c1-9(2)11-4-3-10-5-6-13-8-12(10)7-11;1-9(2)11-6-5-10-4-3-7-13-12(10)8-11/h3-4,7,9,13H,5-6,8H2,1-2H3;5-6,8-9,13H,3-4,7H2,1-2H3
InChIKeyPJUDMNXDIBZSEV-UHFFFAOYSA-N
XLogP5.62
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.55
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;7-propan-2-yl-1,2,3,4-tetrahydroquinoline with MolForge

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Related Compounds

7-butan-2-yl-1,2,3,4-tetrahydroquinoline
CID 91483435
ethane;5-propan-2-yl-2,3-dihydro-1H-isoindole
CID 161239828
1-(2,3-dihydro-1H-indol-6-yl)ethanol
CID 84651673
ethane;methane;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 160891896
8-propan-2-yl-1,3,4,5-tetrahydro-1,3-benzodiazepin-2-one
CID 137457123
6-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydroquinoline
CID 55197505
ethane;7-methyl-1,2,3,4-tetrahydroquinoline
CID 142224426
N-ethyl-N-(2-methylpropyl)-1,2,3,4-tetrahydroquinolin-7-amine
CID 81215273
N-cyclohexyl-N-methyl-1,2,3,4-tetrahydroquinolin-7-amine
CID 81215187
1-(1,2,3,4-tetrahydroisoquinolin-7-yl)prop-2-yn-1-ol
CID 91091154
2,2,2-trifluoro-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanol
CID 58629591
N-butan-2-yl-1,2,3,4-tetrahydroquinolin-7-amine
CID 79676970

Frequently Asked Questions

What is the IUPAC name of 7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;7-propan-2-yl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;7-propan-2-yl-1,2,3,4-tetrahydroquinoline (CID 170791399) is 7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;7-propan-2-yl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;7-propan-2-yl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;7-propan-2-yl-1,2,3,4-tetrahydroquinoline is CC(C)c1ccc2c(c1)CNCC2.CC(C)c1ccc2c(c1)NCCC2.
What is the InChIKey of 7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;7-propan-2-yl-1,2,3,4-tetrahydroquinoline?
The InChIKey is PJUDMNXDIBZSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H17N/c1-9(2)11-4-3-10-5-6-13-8-12(10)7-11;1-9(2)11-6-5-10-4-3-7-13-12(10)8-11/h3-4,7,9,13H,5-6,8H2,1-2H3;5-6,8-9,13H,3-4,7H2,1-2H3.
What are the key properties of 7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;7-propan-2-yl-1,2,3,4-tetrahydroquinoline?
7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;7-propan-2-yl-1,2,3,4-tetrahydroquinoline has a molecular weight of 350.55 g/mol, XLogP of 5.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;7-propan-2-yl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 170791399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).