2-propan-2-yl-1H-isoquinolin-5-amine

C12H16N2 — CID 170308696

IUPAC2-propan-2-yl-1H-isoquinolin-5-amine
SMILESCC(C)N1C=Cc2c(N)cccc2C1
InChIInChI=1S/C12H16N2/c1-9(2)14-7-6-11-10(8-14)4-3-5-12(11)13/h3-7,9H,8,13H2,1-2H3
InChIKeyZKWYXUMLLWZMQT-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.46
Rot. Bonds1

About 2-propan-2-yl-1H-isoquinolin-5-amine

2-propan-2-yl-1H-isoquinolin-5-amine (PubChem CID 170308696) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-propan-2-yl-1H-isoquinolin-5-amine.

Molecular Properties

Compound Name2-propan-2-yl-1H-isoquinolin-5-amine
PubChem CID170308696
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name2-propan-2-yl-1H-isoquinolin-5-amine
SMILESCC(C)N1C=Cc2c(N)cccc2C1
InChIInChI=1S/C12H16N2/c1-9(2)14-7-6-11-10(8-14)4-3-5-12(11)13/h3-7,9H,8,13H2,1-2H3
InChIKeyZKWYXUMLLWZMQT-UHFFFAOYSA-N
XLogP2.46
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-tert-butyl-1H-isoquinolin-5-amine
CID 169302651
ethane;2-propan-2-yl-1H-isoquinoline;yttrium
CID 160548203
2-[(4-fluorophenyl)methyl]-1H-isoquinolin-5-amine
CID 69301987
2-(5-amino-1H-isoquinolin-2-yl)acetamide
CID 57298139
1H-inden-4-amine;methanamine
CID 174766313
2-propan-2-yl-1,2-benzoxazin-5-amine
CID 170328676
2-(3-methylbutan-2-yl)-1,3-dihydroisoindol-4-amine
CID 43370011
7-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-propan-2-yl-1H-isoquinoline
CID 143781021
2-propan-2-yl-1,5-dihydro-2,4-benzodiazepine
CID 90144630
4-methyl-1,3-di(propan-2-yl)-2H-pyridine
CID 174351692
2-(4-methylpentan-2-yl)-1,3-dihydroisoindol-4-amine
CID 43372441
2-(3-methylbutan-2-yl)-3,4-dihydro-1H-isoquinolin-5-amine
CID 61018845

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1H-isoquinolin-5-amine?
The IUPAC name of 2-propan-2-yl-1H-isoquinolin-5-amine (CID 170308696) is 2-propan-2-yl-1H-isoquinolin-5-amine.
What is the SMILES notation for 2-propan-2-yl-1H-isoquinolin-5-amine?
The canonical SMILES for 2-propan-2-yl-1H-isoquinolin-5-amine is CC(C)N1C=Cc2c(N)cccc2C1.
What is the InChIKey of 2-propan-2-yl-1H-isoquinolin-5-amine?
The InChIKey is ZKWYXUMLLWZMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-9(2)14-7-6-11-10(8-14)4-3-5-12(11)13/h3-7,9H,8,13H2,1-2H3.
What are the key properties of 2-propan-2-yl-1H-isoquinolin-5-amine?
2-propan-2-yl-1H-isoquinolin-5-amine has a molecular weight of 188.27 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-1H-isoquinolin-5-amine is sourced from PubChem (CID 170308696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).