5-(5-oxaspiro[3.5]nonan-8-yloxy)-1,2,3,4-tetrahydronaphthalen-1-amine

C18H25NO2 — CID 79900755

IUPAC5-(5-oxaspiro[3.5]nonan-8-yloxy)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESNC1CCCc2c(OC3CCOC4(CCC4)C3)cccc21
InChIInChI=1S/C18H25NO2/c19-16-6-1-5-15-14(16)4-2-7-17(15)21-13-8-11-20-18(12-13)9-3-10-18/h2,4,7,13,16H,1,3,5-6,8-12,19H2
InChIKeyJNNZGZBVJFPGIK-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.50
Rot. Bonds2

About 5-(5-oxaspiro[3.5]nonan-8-yloxy)-1,2,3,4-tetrahydronaphthalen-1-amine

5-(5-oxaspiro[3.5]nonan-8-yloxy)-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 79900755) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 5-(5-oxaspiro[3.5]nonan-8-yloxy)-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name5-(5-oxaspiro[3.5]nonan-8-yloxy)-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID79900755
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name5-(5-oxaspiro[3.5]nonan-8-yloxy)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESNC1CCCc2c(OC3CCOC4(CCC4)C3)cccc21
InChIInChI=1S/C18H25NO2/c19-16-6-1-5-15-14(16)4-2-7-17(15)21-13-8-11-20-18(12-13)9-3-10-18/h2,4,7,13,16H,1,3,5-6,8-12,19H2
InChIKeyJNNZGZBVJFPGIK-UHFFFAOYSA-N
XLogP3.50
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,3-dimethylphenoxy)-1-oxaspiro[5.5]undecane
CID 103432365
4-(oxan-4-yloxy)-2,3-dihydro-1H-inden-1-amine
CID 63936017
5-(3,5-dimethylcyclohexyl)oxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65453836
2-(5-oxaspiro[3.5]nonan-8-yloxy)benzenecarbothioamide
CID 79905444
2-amino-6-(5-oxaspiro[3.5]nonan-8-yloxy)benzoic acid
CID 107341466
9-(2-bromophenoxy)-6-oxaspiro[4.5]decane
CID 79905452
3-(6-oxaspiro[4.5]decan-9-yloxy)pyridin-2-amine
CID 79904908
8-(5-fluoro-2-methylphenoxy)-5-oxaspiro[3.5]nonane
CID 102990531
6-(5-oxaspiro[3.5]nonan-8-yloxy)-2,3-dihydro-1-benzofuran-3-amine
CID 79900430
5-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
CID 70349932
2,5-dimethyl-4-(5-oxaspiro[3.5]nonan-8-yloxy)aniline
CID 79904915
2-[2-(1-oxaspiro[5.5]undecan-4-yloxy)phenyl]ethanol
CID 107713039

Frequently Asked Questions

What is the IUPAC name of 5-(5-oxaspiro[3.5]nonan-8-yloxy)-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 5-(5-oxaspiro[3.5]nonan-8-yloxy)-1,2,3,4-tetrahydronaphthalen-1-amine (CID 79900755) is 5-(5-oxaspiro[3.5]nonan-8-yloxy)-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 5-(5-oxaspiro[3.5]nonan-8-yloxy)-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 5-(5-oxaspiro[3.5]nonan-8-yloxy)-1,2,3,4-tetrahydronaphthalen-1-amine is NC1CCCc2c(OC3CCOC4(CCC4)C3)cccc21.
What is the InChIKey of 5-(5-oxaspiro[3.5]nonan-8-yloxy)-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is JNNZGZBVJFPGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c19-16-6-1-5-15-14(16)4-2-7-17(15)21-13-8-11-20-18(12-13)9-3-10-18/h2,4,7,13,16H,1,3,5-6,8-12,19H2.
What are the key properties of 5-(5-oxaspiro[3.5]nonan-8-yloxy)-1,2,3,4-tetrahydronaphthalen-1-amine?
5-(5-oxaspiro[3.5]nonan-8-yloxy)-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 287.40 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-oxaspiro[3.5]nonan-8-yloxy)-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 79900755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).