2-tert-butyl-1H-isoquinolin-5-amine

C13H18N2 — CID 169302651

IUPAC2-tert-butyl-1H-isoquinolin-5-amine
SMILESCC(C)(C)N1C=Cc2c(N)cccc2C1
InChIInChI=1S/C13H18N2/c1-13(2,3)15-8-7-11-10(9-15)5-4-6-12(11)14/h4-8H,9,14H2,1-3H3
InChIKeyYEYAJSHVQFUSRI-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.85
Rot. Bonds

About 2-tert-butyl-1H-isoquinolin-5-amine

2-tert-butyl-1H-isoquinolin-5-amine (PubChem CID 169302651) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 2-tert-butyl-1H-isoquinolin-5-amine.

Molecular Properties

Compound Name2-tert-butyl-1H-isoquinolin-5-amine
PubChem CID169302651
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name2-tert-butyl-1H-isoquinolin-5-amine
SMILESCC(C)(C)N1C=Cc2c(N)cccc2C1
InChIInChI=1S/C13H18N2/c1-13(2,3)15-8-7-11-10(9-15)5-4-6-12(11)14/h4-8H,9,14H2,1-3H3
InChIKeyYEYAJSHVQFUSRI-UHFFFAOYSA-N
XLogP2.85
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.85
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-propan-2-yl-1H-isoquinolin-5-amine
CID 170308696
2-(5-amino-1H-isoquinolin-2-yl)acetamide
CID 57298139
2-[(4-fluorophenyl)methyl]-1H-isoquinolin-5-amine
CID 69301987
1H-inden-4-amine;methanamine
CID 174766313
2-methyl-1H-isoquinoline-5-carbonitrile
CID 141349169
N'-[2-(2-aminoethyl)-1H-isoquinolin-5-yl]-N-methylethane-1,2-diamine
CID 67792416
2-chloro-1H-isoquinolin-5-ol
CID 163359818
2-methyl-1,3-dihydroindazol-7-amine
CID 123500749
2-propan-2-yl-1,2-benzoxazin-5-amine
CID 170328676
4H-quinazoline-3,8-diamine
CID 175015962
2-[(4-tert-butylphenyl)methyl]-1,3-dihydroisoindol-4-amine
CID 43370254
2-(4-methylpentan-2-yl)-1,3-dihydroisoindol-4-amine
CID 43372441

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1H-isoquinolin-5-amine?
The IUPAC name of 2-tert-butyl-1H-isoquinolin-5-amine (CID 169302651) is 2-tert-butyl-1H-isoquinolin-5-amine.
What is the SMILES notation for 2-tert-butyl-1H-isoquinolin-5-amine?
The canonical SMILES for 2-tert-butyl-1H-isoquinolin-5-amine is CC(C)(C)N1C=Cc2c(N)cccc2C1.
What is the InChIKey of 2-tert-butyl-1H-isoquinolin-5-amine?
The InChIKey is YEYAJSHVQFUSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-13(2,3)15-8-7-11-10(9-15)5-4-6-12(11)14/h4-8H,9,14H2,1-3H3.
What are the key properties of 2-tert-butyl-1H-isoquinolin-5-amine?
2-tert-butyl-1H-isoquinolin-5-amine has a molecular weight of 202.30 g/mol, XLogP of 2.85, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1H-isoquinolin-5-amine is sourced from PubChem (CID 169302651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).