2-(6-oxaspiro[4.5]decan-9-yl)-3,4-dihydro-1H-isoquinolin-8-amine

C18H26N2O — CID 114524173

IUPAC2-(6-oxaspiro[4.5]decan-9-yl)-3,4-dihydro-1H-isoquinolin-8-amine
SMILESNc1cccc2c1CN(C1CCOC3(CCCC3)C1)CC2
InChIInChI=1S/C18H26N2O/c19-17-5-3-4-14-6-10-20(13-16(14)17)15-7-11-21-18(12-15)8-1-2-9-18/h3-5,15H,1-2,6-13,19H2
InChIKeyGIUMJZADDFCVHN-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.12
Rot. Bonds1

About 2-(6-oxaspiro[4.5]decan-9-yl)-3,4-dihydro-1H-isoquinolin-8-amine

2-(6-oxaspiro[4.5]decan-9-yl)-3,4-dihydro-1H-isoquinolin-8-amine (PubChem CID 114524173) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-(6-oxaspiro[4.5]decan-9-yl)-3,4-dihydro-1H-isoquinolin-8-amine.

Molecular Properties

Compound Name2-(6-oxaspiro[4.5]decan-9-yl)-3,4-dihydro-1H-isoquinolin-8-amine
PubChem CID114524173
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name2-(6-oxaspiro[4.5]decan-9-yl)-3,4-dihydro-1H-isoquinolin-8-amine
SMILESNc1cccc2c1CN(C1CCOC3(CCCC3)C1)CC2
InChIInChI=1S/C18H26N2O/c19-17-5-3-4-14-6-10-20(13-16(14)17)15-7-11-21-18(12-15)8-1-2-9-18/h3-5,15H,1-2,6-13,19H2
InChIKeyGIUMJZADDFCVHN-UHFFFAOYSA-N
XLogP3.12
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(6-oxaspiro[4.5]decan-9-yl)-3,4-dihydro-1H-isoquinolin-8-amine with MolForge

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Related Compounds

2-(2,2-dimethyloxan-4-yl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 114522652
1-(5-oxaspiro[3.5]nonan-8-yl)-2,3-dihydroindol-7-amine
CID 114456497
2-(1,1-dioxothian-4-yl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 114522543
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-[4-(trifluoromethyl)cyclohexyl]-3,4-dihydro-1H-isoquinolin-8-amine
CID 114522338
2-[3-(trifluoromethyl)cyclohexyl]-3,4-dihydro-1H-isoquinolin-8-amine
CID 114522616
2-(2-methylthian-3-yl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 114522069
1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2,3-dihydroindol-4-amine
CID 79898768
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
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-(6-oxaspiro[4.5]decan-9-yl)-3,4-dihydro-1H-isoquinolin-8-amine?
The IUPAC name of 2-(6-oxaspiro[4.5]decan-9-yl)-3,4-dihydro-1H-isoquinolin-8-amine (CID 114524173) is 2-(6-oxaspiro[4.5]decan-9-yl)-3,4-dihydro-1H-isoquinolin-8-amine.
What is the SMILES notation for 2-(6-oxaspiro[4.5]decan-9-yl)-3,4-dihydro-1H-isoquinolin-8-amine?
The canonical SMILES for 2-(6-oxaspiro[4.5]decan-9-yl)-3,4-dihydro-1H-isoquinolin-8-amine is Nc1cccc2c1CN(C1CCOC3(CCCC3)C1)CC2.
What is the InChIKey of 2-(6-oxaspiro[4.5]decan-9-yl)-3,4-dihydro-1H-isoquinolin-8-amine?
The InChIKey is GIUMJZADDFCVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c19-17-5-3-4-14-6-10-20(13-16(14)17)15-7-11-21-18(12-15)8-1-2-9-18/h3-5,15H,1-2,6-13,19H2.
What are the key properties of 2-(6-oxaspiro[4.5]decan-9-yl)-3,4-dihydro-1H-isoquinolin-8-amine?
2-(6-oxaspiro[4.5]decan-9-yl)-3,4-dihydro-1H-isoquinolin-8-amine has a molecular weight of 286.42 g/mol, XLogP of 3.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-oxaspiro[4.5]decan-9-yl)-3,4-dihydro-1H-isoquinolin-8-amine is sourced from PubChem (CID 114524173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).