7-(3-propan-2-ylphenoxy)-2-azaspiro[3.5]nonane

C17H25NO — CID 163218689

IUPAC7-(3-propan-2-ylphenoxy)-2-azaspiro[3.5]nonane
SMILESCC(C)c1cccc(OC2CCC3(CC2)CNC3)c1
InChIInChI=1S/C17H25NO/c1-13(2)14-4-3-5-16(10-14)19-15-6-8-17(9-7-15)11-18-12-17/h3-5,10,13,15,18H,6-9,11-12H2,1-2H3
InChIKeyAWSHICLREIPSAR-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.72
Rot. Bonds3

About 7-(3-propan-2-ylphenoxy)-2-azaspiro[3.5]nonane

7-(3-propan-2-ylphenoxy)-2-azaspiro[3.5]nonane (PubChem CID 163218689) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 7-(3-propan-2-ylphenoxy)-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name7-(3-propan-2-ylphenoxy)-2-azaspiro[3.5]nonane
PubChem CID163218689
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name7-(3-propan-2-ylphenoxy)-2-azaspiro[3.5]nonane
SMILESCC(C)c1cccc(OC2CCC3(CC2)CNC3)c1
InChIInChI=1S/C17H25NO/c1-13(2)14-4-3-5-16(10-14)19-15-6-8-17(9-7-15)11-18-12-17/h3-5,10,13,15,18H,6-9,11-12H2,1-2H3
InChIKeyAWSHICLREIPSAR-UHFFFAOYSA-N
XLogP3.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 140909564
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7-(4-methylphenoxy)-2-azaspiro[3.5]nonane
CID 175711448
3-(3-propan-2-ylphenoxy)cyclohexan-1-ol
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[1-(ethylamino)-3-(3-propan-2-ylphenoxy)cyclopentyl]methanol
CID 79645784
4-(3-propan-2-ylphenoxy)pyrrolidin-3-ol
CID 63703160
(1R)-1-[3-[(3R)-oxolan-3-yl]oxyphenyl]ethanamine
CID 67021938
1-(3-cyclopropyloxyphenyl)-1-(4,4-difluorocyclohexyl)-N-methylmethanamine
CID 105188648
1-[amino-(3-cyclopropyloxyphenyl)methyl]-N,N-dimethylcyclopentan-1-amine
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4-(3-propan-2-ylphenoxy)triazolidine
CID 165414390

Frequently Asked Questions

What is the IUPAC name of 7-(3-propan-2-ylphenoxy)-2-azaspiro[3.5]nonane?
The IUPAC name of 7-(3-propan-2-ylphenoxy)-2-azaspiro[3.5]nonane (CID 163218689) is 7-(3-propan-2-ylphenoxy)-2-azaspiro[3.5]nonane.
What is the SMILES notation for 7-(3-propan-2-ylphenoxy)-2-azaspiro[3.5]nonane?
The canonical SMILES for 7-(3-propan-2-ylphenoxy)-2-azaspiro[3.5]nonane is CC(C)c1cccc(OC2CCC3(CC2)CNC3)c1.
What is the InChIKey of 7-(3-propan-2-ylphenoxy)-2-azaspiro[3.5]nonane?
The InChIKey is AWSHICLREIPSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-13(2)14-4-3-5-16(10-14)19-15-6-8-17(9-7-15)11-18-12-17/h3-5,10,13,15,18H,6-9,11-12H2,1-2H3.
What are the key properties of 7-(3-propan-2-ylphenoxy)-2-azaspiro[3.5]nonane?
7-(3-propan-2-ylphenoxy)-2-azaspiro[3.5]nonane has a molecular weight of 259.39 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-propan-2-ylphenoxy)-2-azaspiro[3.5]nonane is sourced from PubChem (CID 163218689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).