2-(2,2-dimethyloxan-4-yl)-3,4-dihydro-1H-isoquinolin-8-amine

C16H24N2O — CID 114522652

IUPAC2-(2,2-dimethyloxan-4-yl)-3,4-dihydro-1H-isoquinolin-8-amine
SMILESCC1(C)CC(N2CCc3cccc(N)c3C2)CCO1
InChIInChI=1S/C16H24N2O/c1-16(2)10-13(7-9-19-16)18-8-6-12-4-3-5-15(17)14(12)11-18/h3-5,13H,6-11,17H2,1-2H3
InChIKeyNKTXELGGWPLHTK-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.58
Rot. Bonds1

About 2-(2,2-dimethyloxan-4-yl)-3,4-dihydro-1H-isoquinolin-8-amine

2-(2,2-dimethyloxan-4-yl)-3,4-dihydro-1H-isoquinolin-8-amine (PubChem CID 114522652) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-(2,2-dimethyloxan-4-yl)-3,4-dihydro-1H-isoquinolin-8-amine.

Molecular Properties

Compound Name2-(2,2-dimethyloxan-4-yl)-3,4-dihydro-1H-isoquinolin-8-amine
PubChem CID114522652
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-(2,2-dimethyloxan-4-yl)-3,4-dihydro-1H-isoquinolin-8-amine
SMILESCC1(C)CC(N2CCc3cccc(N)c3C2)CCO1
InChIInChI=1S/C16H24N2O/c1-16(2)10-13(7-9-19-16)18-8-6-12-4-3-5-15(17)14(12)11-18/h3-5,13H,6-11,17H2,1-2H3
InChIKeyNKTXELGGWPLHTK-UHFFFAOYSA-N
XLogP2.58
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2,2-dimethyloxan-4-yl)-3,4-dihydro-1H-isoquinolin-8-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-(6-oxaspiro[4.5]decan-9-yl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 114524173
2-(2-propan-2-yloxan-4-yl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 114522189
2-(1-ethylazepan-4-yl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 114522276
2-(1,1-dioxothian-4-yl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 114522543
2-[4-(trifluoromethyl)cyclohexyl]-3,4-dihydro-1H-isoquinolin-8-amine
CID 114522338
3-(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-1-methylpyrrolidin-2-one
CID 114523980
2-(2-methylthian-3-yl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 114522069
2-[3-(2-methylpropyl)cyclohexyl]-3,4-dihydro-1H-isoquinolin-8-amine
CID 107429453
2-(1-azabicyclo[2.2.2]octan-3-yl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 114522103
2-[3-(trifluoromethyl)cyclohexyl]-3,4-dihydro-1H-isoquinolin-8-amine
CID 114522616
2-(3-methylcyclobutyl)-3,4-dihydro-1H-isoquinolin-5-amine
CID 103563697
8-fluoro-2-[(3S)-8-oxaspiro[4.5]decan-3-yl]-3,4-dihydro-1H-isoquinoline
CID 174236293

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethyloxan-4-yl)-3,4-dihydro-1H-isoquinolin-8-amine?
The IUPAC name of 2-(2,2-dimethyloxan-4-yl)-3,4-dihydro-1H-isoquinolin-8-amine (CID 114522652) is 2-(2,2-dimethyloxan-4-yl)-3,4-dihydro-1H-isoquinolin-8-amine.
What is the SMILES notation for 2-(2,2-dimethyloxan-4-yl)-3,4-dihydro-1H-isoquinolin-8-amine?
The canonical SMILES for 2-(2,2-dimethyloxan-4-yl)-3,4-dihydro-1H-isoquinolin-8-amine is CC1(C)CC(N2CCc3cccc(N)c3C2)CCO1.
What is the InChIKey of 2-(2,2-dimethyloxan-4-yl)-3,4-dihydro-1H-isoquinolin-8-amine?
The InChIKey is NKTXELGGWPLHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-16(2)10-13(7-9-19-16)18-8-6-12-4-3-5-15(17)14(12)11-18/h3-5,13H,6-11,17H2,1-2H3.
What are the key properties of 2-(2,2-dimethyloxan-4-yl)-3,4-dihydro-1H-isoquinolin-8-amine?
2-(2,2-dimethyloxan-4-yl)-3,4-dihydro-1H-isoquinolin-8-amine has a molecular weight of 260.38 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethyloxan-4-yl)-3,4-dihydro-1H-isoquinolin-8-amine is sourced from PubChem (CID 114522652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).