8-[benzyl(methyl)amino]-1-oxaspiro[4.5]decan-7-ol

C17H25NO2 — CID 166456949

IUPAC8-[benzyl(methyl)amino]-1-oxaspiro[4.5]decan-7-ol
SMILESCN(Cc1ccccc1)C1CCC2(CCCO2)CC1O
InChIInChI=1S/C17H25NO2/c1-18(13-14-6-3-2-4-7-14)15-8-10-17(12-16(15)19)9-5-11-20-17/h2-4,6-7,15-16,19H,5,8-13H2,1H3
InChIKeyNQERJMBZPSROAK-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.58
Rot. Bonds3

About 8-[benzyl(methyl)amino]-1-oxaspiro[4.5]decan-7-ol

8-[benzyl(methyl)amino]-1-oxaspiro[4.5]decan-7-ol (PubChem CID 166456949) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 8-[benzyl(methyl)amino]-1-oxaspiro[4.5]decan-7-ol.

Molecular Properties

Compound Name8-[benzyl(methyl)amino]-1-oxaspiro[4.5]decan-7-ol
PubChem CID166456949
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name8-[benzyl(methyl)amino]-1-oxaspiro[4.5]decan-7-ol
SMILESCN(Cc1ccccc1)C1CCC2(CCCO2)CC1O
InChIInChI=1S/C17H25NO2/c1-18(13-14-6-3-2-4-7-14)15-8-10-17(12-16(15)19)9-5-11-20-17/h2-4,6-7,15-16,19H,5,8-13H2,1H3
InChIKeyNQERJMBZPSROAK-UHFFFAOYSA-N
XLogP2.58
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-[benzyl(methyl)amino]-1-oxaspiro[4.5]decan-7-ol?
The IUPAC name of 8-[benzyl(methyl)amino]-1-oxaspiro[4.5]decan-7-ol (CID 166456949) is 8-[benzyl(methyl)amino]-1-oxaspiro[4.5]decan-7-ol.
What is the SMILES notation for 8-[benzyl(methyl)amino]-1-oxaspiro[4.5]decan-7-ol?
The canonical SMILES for 8-[benzyl(methyl)amino]-1-oxaspiro[4.5]decan-7-ol is CN(Cc1ccccc1)C1CCC2(CCCO2)CC1O.
What is the InChIKey of 8-[benzyl(methyl)amino]-1-oxaspiro[4.5]decan-7-ol?
The InChIKey is NQERJMBZPSROAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-18(13-14-6-3-2-4-7-14)15-8-10-17(12-16(15)19)9-5-11-20-17/h2-4,6-7,15-16,19H,5,8-13H2,1H3.
What are the key properties of 8-[benzyl(methyl)amino]-1-oxaspiro[4.5]decan-7-ol?
8-[benzyl(methyl)amino]-1-oxaspiro[4.5]decan-7-ol has a molecular weight of 275.39 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[benzyl(methyl)amino]-1-oxaspiro[4.5]decan-7-ol is sourced from PubChem (CID 166456949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).