(5S,7S)-8-[benzyl(methyl)amino]-2-oxaspiro[4.5]decan-7-ol

C17H25NO2 — CID 18602764

IUPAC(5S,7S)-8-[benzyl(methyl)amino]-2-oxaspiro[4.5]decan-7-ol
SMILESCN(Cc1ccccc1)C1CC[C@]2(CCOC2)C[C@@H]1O
InChIInChI=1S/C17H25NO2/c1-18(12-14-5-3-2-4-6-14)15-7-8-17(11-16(15)19)9-10-20-13-17/h2-6,15-16,19H,7-13H2,1H3/t15?,16-,17-/m0/s1
InChIKeyRWAQHHQSWSHJEC-BSOSBYQFSA-N
MW275.39 g/mol
LogP2.44
Rot. Bonds3

About (5S,7S)-8-[benzyl(methyl)amino]-2-oxaspiro[4.5]decan-7-ol

(5S,7S)-8-[benzyl(methyl)amino]-2-oxaspiro[4.5]decan-7-ol (PubChem CID 18602764) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is (5S,7S)-8-[benzyl(methyl)amino]-2-oxaspiro[4.5]decan-7-ol.

Molecular Properties

Compound Name(5S,7S)-8-[benzyl(methyl)amino]-2-oxaspiro[4.5]decan-7-ol
PubChem CID18602764
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name(5S,7S)-8-[benzyl(methyl)amino]-2-oxaspiro[4.5]decan-7-ol
SMILESCN(Cc1ccccc1)C1CC[C@]2(CCOC2)C[C@@H]1O
InChIInChI=1S/C17H25NO2/c1-18(12-14-5-3-2-4-6-14)15-7-8-17(11-16(15)19)9-10-20-13-17/h2-6,15-16,19H,7-13H2,1H3/t15?,16-,17-/m0/s1
InChIKeyRWAQHHQSWSHJEC-BSOSBYQFSA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S,7S)-8-[benzyl(methyl)amino]-2-oxaspiro[4.5]decan-7-ol?
The IUPAC name of (5S,7S)-8-[benzyl(methyl)amino]-2-oxaspiro[4.5]decan-7-ol (CID 18602764) is (5S,7S)-8-[benzyl(methyl)amino]-2-oxaspiro[4.5]decan-7-ol.
What is the SMILES notation for (5S,7S)-8-[benzyl(methyl)amino]-2-oxaspiro[4.5]decan-7-ol?
The canonical SMILES for (5S,7S)-8-[benzyl(methyl)amino]-2-oxaspiro[4.5]decan-7-ol is CN(Cc1ccccc1)C1CC[C@]2(CCOC2)C[C@@H]1O.
What is the InChIKey of (5S,7S)-8-[benzyl(methyl)amino]-2-oxaspiro[4.5]decan-7-ol?
The InChIKey is RWAQHHQSWSHJEC-BSOSBYQFSA-N. The full InChI is InChI=1S/C17H25NO2/c1-18(12-14-5-3-2-4-6-14)15-7-8-17(11-16(15)19)9-10-20-13-17/h2-6,15-16,19H,7-13H2,1H3/t15?,16-,17-/m0/s1.
What are the key properties of (5S,7S)-8-[benzyl(methyl)amino]-2-oxaspiro[4.5]decan-7-ol?
(5S,7S)-8-[benzyl(methyl)amino]-2-oxaspiro[4.5]decan-7-ol has a molecular weight of 275.39 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,7S)-8-[benzyl(methyl)amino]-2-oxaspiro[4.5]decan-7-ol is sourced from PubChem (CID 18602764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).