1-(5-oxaspiro[3.5]nonan-8-yl)-2,3-dihydroindol-7-amine

C16H22N2O — CID 114456497

IUPAC1-(5-oxaspiro[3.5]nonan-8-yl)-2,3-dihydroindol-7-amine
SMILESNc1cccc2c1N(C1CCOC3(CCC3)C1)CC2
InChIInChI=1S/C16H22N2O/c17-14-4-1-3-12-5-9-18(15(12)14)13-6-10-19-16(11-13)7-2-8-16/h1,3-4,13H,2,5-11,17H2
InChIKeyLBTFGZBXROPXIT-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.73
Rot. Bonds1

About 1-(5-oxaspiro[3.5]nonan-8-yl)-2,3-dihydroindol-7-amine

1-(5-oxaspiro[3.5]nonan-8-yl)-2,3-dihydroindol-7-amine (PubChem CID 114456497) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 1-(5-oxaspiro[3.5]nonan-8-yl)-2,3-dihydroindol-7-amine.

Molecular Properties

Compound Name1-(5-oxaspiro[3.5]nonan-8-yl)-2,3-dihydroindol-7-amine
PubChem CID114456497
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name1-(5-oxaspiro[3.5]nonan-8-yl)-2,3-dihydroindol-7-amine
SMILESNc1cccc2c1N(C1CCOC3(CCC3)C1)CC2
InChIInChI=1S/C16H22N2O/c17-14-4-1-3-12-5-9-18(15(12)14)13-6-10-19-16(11-13)7-2-8-16/h1,3-4,13H,2,5-11,17H2
InChIKeyLBTFGZBXROPXIT-UHFFFAOYSA-N
XLogP2.73
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(6-oxaspiro[4.5]decan-9-yl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 114524173
1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2,3-dihydroindol-4-amine
CID 79898768
2-(2,2-dimethyloxan-4-yl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 114522652
1-(5-oxaspiro[3.5]nonan-8-yl)imidazol-4-amine
CID 165465012
2-(5-oxaspiro[3.5]nonan-8-ylsulfanyl)aniline
CID 79906285
2-methyl-3-(5-oxaspiro[3.5]nonan-8-ylsulfanyl)aniline
CID 79906014
7-bicyclo[4.2.0]octa-1,3,5-trienyl(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 79910009
2-(5-oxaspiro[3.5]nonan-8-yl)-3,4-dihydro-1H-naphthalen-2-amine
CID 79908074
2-(5-oxaspiro[3.5]nonan-8-yl)-1,3-dihydroinden-2-amine
CID 79912864
2-amino-6-(5-oxaspiro[3.5]nonan-8-yloxy)benzoic acid
CID 107341466
1-(oxolan-2-ylmethyl)-2,3-dihydroindol-7-amine
CID 114456219
1-(7-amino-2,3-dihydroindol-1-yl)-2-cycloheptylethanone
CID 114458473

Frequently Asked Questions

What is the IUPAC name of 1-(5-oxaspiro[3.5]nonan-8-yl)-2,3-dihydroindol-7-amine?
The IUPAC name of 1-(5-oxaspiro[3.5]nonan-8-yl)-2,3-dihydroindol-7-amine (CID 114456497) is 1-(5-oxaspiro[3.5]nonan-8-yl)-2,3-dihydroindol-7-amine.
What is the SMILES notation for 1-(5-oxaspiro[3.5]nonan-8-yl)-2,3-dihydroindol-7-amine?
The canonical SMILES for 1-(5-oxaspiro[3.5]nonan-8-yl)-2,3-dihydroindol-7-amine is Nc1cccc2c1N(C1CCOC3(CCC3)C1)CC2.
What is the InChIKey of 1-(5-oxaspiro[3.5]nonan-8-yl)-2,3-dihydroindol-7-amine?
The InChIKey is LBTFGZBXROPXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c17-14-4-1-3-12-5-9-18(15(12)14)13-6-10-19-16(11-13)7-2-8-16/h1,3-4,13H,2,5-11,17H2.
What are the key properties of 1-(5-oxaspiro[3.5]nonan-8-yl)-2,3-dihydroindol-7-amine?
1-(5-oxaspiro[3.5]nonan-8-yl)-2,3-dihydroindol-7-amine has a molecular weight of 258.36 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-oxaspiro[3.5]nonan-8-yl)-2,3-dihydroindol-7-amine is sourced from PubChem (CID 114456497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).