8-[benzyl(methyl)amino]-3-methyl-1-oxaspiro[4.5]decan-7-ol

C18H27NO2 — CID 70367627

IUPAC8-[benzyl(methyl)amino]-3-methyl-1-oxaspiro[4.5]decan-7-ol
SMILESCC1COC2(CCC(N(C)Cc3ccccc3)C(O)C2)C1
InChIInChI=1S/C18H27NO2/c1-14-10-18(21-13-14)9-8-16(17(20)11-18)19(2)12-15-6-4-3-5-7-15/h3-7,14,16-17,20H,8-13H2,1-2H3
InChIKeyCVAOXPQNTYHALI-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.83
Rot. Bonds3

About 8-[benzyl(methyl)amino]-3-methyl-1-oxaspiro[4.5]decan-7-ol

8-[benzyl(methyl)amino]-3-methyl-1-oxaspiro[4.5]decan-7-ol (PubChem CID 70367627) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 8-[benzyl(methyl)amino]-3-methyl-1-oxaspiro[4.5]decan-7-ol.

Molecular Properties

Compound Name8-[benzyl(methyl)amino]-3-methyl-1-oxaspiro[4.5]decan-7-ol
PubChem CID70367627
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name8-[benzyl(methyl)amino]-3-methyl-1-oxaspiro[4.5]decan-7-ol
SMILESCC1COC2(CCC(N(C)Cc3ccccc3)C(O)C2)C1
InChIInChI=1S/C18H27NO2/c1-14-10-18(21-13-14)9-8-16(17(20)11-18)19(2)12-15-6-4-3-5-7-15/h3-7,14,16-17,20H,8-13H2,1-2H3
InChIKeyCVAOXPQNTYHALI-UHFFFAOYSA-N
XLogP2.83
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-[benzyl(methyl)amino]-3-methyl-1-oxaspiro[4.5]decan-7-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-[benzyl(methyl)amino]-3-methyl-1-oxaspiro[4.5]decan-7-ol?
The IUPAC name of 8-[benzyl(methyl)amino]-3-methyl-1-oxaspiro[4.5]decan-7-ol (CID 70367627) is 8-[benzyl(methyl)amino]-3-methyl-1-oxaspiro[4.5]decan-7-ol.
What is the SMILES notation for 8-[benzyl(methyl)amino]-3-methyl-1-oxaspiro[4.5]decan-7-ol?
The canonical SMILES for 8-[benzyl(methyl)amino]-3-methyl-1-oxaspiro[4.5]decan-7-ol is CC1COC2(CCC(N(C)Cc3ccccc3)C(O)C2)C1.
What is the InChIKey of 8-[benzyl(methyl)amino]-3-methyl-1-oxaspiro[4.5]decan-7-ol?
The InChIKey is CVAOXPQNTYHALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-14-10-18(21-13-14)9-8-16(17(20)11-18)19(2)12-15-6-4-3-5-7-15/h3-7,14,16-17,20H,8-13H2,1-2H3.
What are the key properties of 8-[benzyl(methyl)amino]-3-methyl-1-oxaspiro[4.5]decan-7-ol?
8-[benzyl(methyl)amino]-3-methyl-1-oxaspiro[4.5]decan-7-ol has a molecular weight of 289.42 g/mol, XLogP of 2.83, 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]-3-methyl-1-oxaspiro[4.5]decan-7-ol is sourced from PubChem (CID 70367627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).