3-(2,2-dimethylpropyl)imidazo[2,1-a]isoquinolin-2-amine

C16H19N3 — CID 141154399

IUPAC3-(2,2-dimethylpropyl)imidazo[2,1-a]isoquinolin-2-amine
SMILESCC(C)(C)Cc1c(N)nc2c3ccccc3ccn12
InChIInChI=1S/C16H19N3/c1-16(2,3)10-13-14(17)18-15-12-7-5-4-6-11(12)8-9-19(13)15/h4-9H,10,17H2,1-3H3
InChIKeyPVHAEQVLFPQFKC-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.66
Rot. Bonds1

About 3-(2,2-dimethylpropyl)imidazo[2,1-a]isoquinolin-2-amine

3-(2,2-dimethylpropyl)imidazo[2,1-a]isoquinolin-2-amine (PubChem CID 141154399) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)imidazo[2,1-a]isoquinolin-2-amine.

Molecular Properties

Compound Name3-(2,2-dimethylpropyl)imidazo[2,1-a]isoquinolin-2-amine
PubChem CID141154399
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC Name3-(2,2-dimethylpropyl)imidazo[2,1-a]isoquinolin-2-amine
SMILESCC(C)(C)Cc1c(N)nc2c3ccccc3ccn12
InChIInChI=1S/C16H19N3/c1-16(2,3)10-13-14(17)18-15-12-7-5-4-6-11(12)8-9-19(13)15/h4-9H,10,17H2,1-3H3
InChIKeyPVHAEQVLFPQFKC-UHFFFAOYSA-N
XLogP3.66
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2,2-dimethylpropyl)imidazo[2,1-a]isoquinolin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-methylimidazo[2,1-a]isoquinolin-3-yl)methanamine
CID 115027407
3-(2,2-dimethylpropyl)imidazo[2,1-a]isoquinoline
CID 58517919
2-methyl-3-phenylimidazo[2,1-a]isoquinoline
CID 58517681
benzimidazolo[2,1-a]isoquinoline;ethane
CID 156745272
3-bromo-2-methylpyrimido[2,1-a]isoquinolin-4-one
CID 12664177
2-(2,2-dimethylpropyl)imidazo[1,2-a]pyridin-3-amine
CID 63619289
3-methyl-2-phenylimidazo[2,1-a]isoquinoline
CID 757851
2-bromo-3-(2,2-dimethylpropyl)-8-methylimidazo[2,1-a]isoquinoline;sulfanylidene-[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane
CID 158626679
2-(4-methylphenyl)-3-(piperidin-1-ylmethyl)imidazo[2,1-a]isoquinoline
CID 3615651
1-(2,2-dimethylpropyl)naphthalene;methane
CID 145304916
3-(cyclohexylmethyl)-2-phenylimidazo[2,1-a]isoquinoline
CID 53299495
ethyl 2-hydroxy-4-oxopyrimido[2,1-a]isoquinoline-3-carboxylate
CID 137251410

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropyl)imidazo[2,1-a]isoquinolin-2-amine?
The IUPAC name of 3-(2,2-dimethylpropyl)imidazo[2,1-a]isoquinolin-2-amine (CID 141154399) is 3-(2,2-dimethylpropyl)imidazo[2,1-a]isoquinolin-2-amine.
What is the SMILES notation for 3-(2,2-dimethylpropyl)imidazo[2,1-a]isoquinolin-2-amine?
The canonical SMILES for 3-(2,2-dimethylpropyl)imidazo[2,1-a]isoquinolin-2-amine is CC(C)(C)Cc1c(N)nc2c3ccccc3ccn12.
What is the InChIKey of 3-(2,2-dimethylpropyl)imidazo[2,1-a]isoquinolin-2-amine?
The InChIKey is PVHAEQVLFPQFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3/c1-16(2,3)10-13-14(17)18-15-12-7-5-4-6-11(12)8-9-19(13)15/h4-9H,10,17H2,1-3H3.
What are the key properties of 3-(2,2-dimethylpropyl)imidazo[2,1-a]isoquinolin-2-amine?
3-(2,2-dimethylpropyl)imidazo[2,1-a]isoquinolin-2-amine has a molecular weight of 253.35 g/mol, XLogP of 3.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropyl)imidazo[2,1-a]isoquinolin-2-amine is sourced from PubChem (CID 141154399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).