1-(1-oxaspiro[4.4]nonan-2-ylmethyl)indol-6-amine

C17H22N2O — CID 102897950

IUPAC1-(1-oxaspiro[4.4]nonan-2-ylmethyl)indol-6-amine
SMILESNc1ccc2ccn(CC3CCC4(CCCC4)O3)c2c1
InChIInChI=1S/C17H22N2O/c18-14-4-3-13-6-10-19(16(13)11-14)12-15-5-9-17(20-15)7-1-2-8-17/h3-4,6,10-11,15H,1-2,5,7-9,12,18H2
InChIKeyCSOGIZFJSIPBCW-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.72
Rot. Bonds2

About 1-(1-oxaspiro[4.4]nonan-2-ylmethyl)indol-6-amine

1-(1-oxaspiro[4.4]nonan-2-ylmethyl)indol-6-amine (PubChem CID 102897950) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-(1-oxaspiro[4.4]nonan-2-ylmethyl)indol-6-amine.

Molecular Properties

Compound Name1-(1-oxaspiro[4.4]nonan-2-ylmethyl)indol-6-amine
PubChem CID102897950
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name1-(1-oxaspiro[4.4]nonan-2-ylmethyl)indol-6-amine
SMILESNc1ccc2ccn(CC3CCC4(CCCC4)O3)c2c1
InChIInChI=1S/C17H22N2O/c18-14-4-3-13-6-10-19(16(13)11-14)12-15-5-9-17(20-15)7-1-2-8-17/h3-4,6,10-11,15H,1-2,5,7-9,12,18H2
InChIKeyCSOGIZFJSIPBCW-UHFFFAOYSA-N
XLogP3.72
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1-oxaspiro[4.4]nonan-2-ylmethyl)indol-6-amine?
The IUPAC name of 1-(1-oxaspiro[4.4]nonan-2-ylmethyl)indol-6-amine (CID 102897950) is 1-(1-oxaspiro[4.4]nonan-2-ylmethyl)indol-6-amine.
What is the SMILES notation for 1-(1-oxaspiro[4.4]nonan-2-ylmethyl)indol-6-amine?
The canonical SMILES for 1-(1-oxaspiro[4.4]nonan-2-ylmethyl)indol-6-amine is Nc1ccc2ccn(CC3CCC4(CCCC4)O3)c2c1.
What is the InChIKey of 1-(1-oxaspiro[4.4]nonan-2-ylmethyl)indol-6-amine?
The InChIKey is CSOGIZFJSIPBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c18-14-4-3-13-6-10-19(16(13)11-14)12-15-5-9-17(20-15)7-1-2-8-17/h3-4,6,10-11,15H,1-2,5,7-9,12,18H2.
What are the key properties of 1-(1-oxaspiro[4.4]nonan-2-ylmethyl)indol-6-amine?
1-(1-oxaspiro[4.4]nonan-2-ylmethyl)indol-6-amine has a molecular weight of 270.38 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-oxaspiro[4.4]nonan-2-ylmethyl)indol-6-amine is sourced from PubChem (CID 102897950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).