5-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline

C13H19N — CID 110456721

IUPAC5-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline
SMILESCc1cccc2c1CCN(C(C)C)C2
InChIInChI=1S/C13H19N/c1-10(2)14-8-7-13-11(3)5-4-6-12(13)9-14/h4-6,10H,7-9H2,1-3H3
InChIKeyZIKGDBXJVIVVJV-UHFFFAOYSA-N
MW189.30 g/mol
LogP2.76
Rot. Bonds1

About 5-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline

5-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline (PubChem CID 110456721) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 5-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name5-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline
PubChem CID110456721
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name5-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline
SMILESCc1cccc2c1CCN(C(C)C)C2
InChIInChI=1S/C13H19N/c1-10(2)14-8-7-13-11(3)5-4-6-12(13)9-14/h4-6,10H,7-9H2,1-3H3
InChIKeyZIKGDBXJVIVVJV-UHFFFAOYSA-N
XLogP2.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-[(2-methylpropan-2-yl)oxy]-2-propan-2-yl-3,4-dihydro-1H-isoquinoline
CID 139364349
ethane;2-ethyl-5-methyl-3,4-dihydro-1H-isoquinoline
CID 162382873
2-propan-2-yl-8-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline
CID 123148647
8-tert-butyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline
CID 155242264
2-(3-methylbutan-2-yl)-3,4-dihydro-1H-isoquinolin-5-amine
CID 61018845
5-methyl-1-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-5-yl)triazole-4-carboxylic acid;hydrochloride
CID 54593676
5-bromo-7-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline
CID 110457354
2-[1-(2,5-dimethylphenyl)ethyl]-3,4-dihydro-1H-isoquinolin-5-amine
CID 61017308
2-[1-(5-methylfuran-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-5-amine
CID 54903843
2-(5-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 110456723
2-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-8-yl)ethanamine
CID 84786382
2-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-8-yl)acetonitrile
CID 84783564

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 5-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline (CID 110456721) is 5-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 5-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 5-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline is Cc1cccc2c1CCN(C(C)C)C2.
What is the InChIKey of 5-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline?
The InChIKey is ZIKGDBXJVIVVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-10(2)14-8-7-13-11(3)5-4-6-12(13)9-14/h4-6,10H,7-9H2,1-3H3.
What are the key properties of 5-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline?
5-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline has a molecular weight of 189.30 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 110456721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).