3-methoxy-3-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-N-propylbutan-1-amine

C17H33NO2 — CID 103028543

IUPAC3-methoxy-3-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-N-propylbutan-1-amine
SMILESCCCNC(CC(C)(C)OC)C1CCOC2(CCC2)C1
InChIInChI=1S/C17H33NO2/c1-5-10-18-15(13-16(2,3)19-4)14-7-11-20-17(12-14)8-6-9-17/h14-15,18H,5-13H2,1-4H3
InChIKeyCPLHVUCZEGUYMG-UHFFFAOYSA-N
MW283.46 g/mol
LogP3.52
Rot. Bonds7

About 3-methoxy-3-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-N-propylbutan-1-amine

3-methoxy-3-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-N-propylbutan-1-amine (PubChem CID 103028543) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is 3-methoxy-3-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name3-methoxy-3-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-N-propylbutan-1-amine
PubChem CID103028543
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Name3-methoxy-3-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-N-propylbutan-1-amine
SMILESCCCNC(CC(C)(C)OC)C1CCOC2(CCC2)C1
InChIInChI=1S/C17H33NO2/c1-5-10-18-15(13-16(2,3)19-4)14-7-11-20-17(12-14)8-6-9-17/h14-15,18H,5-13H2,1-4H3
InChIKeyCPLHVUCZEGUYMG-UHFFFAOYSA-N
XLogP3.52
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-N-propylbutan-1-amine?
The IUPAC name of 3-methoxy-3-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-N-propylbutan-1-amine (CID 103028543) is 3-methoxy-3-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-N-propylbutan-1-amine.
What is the SMILES notation for 3-methoxy-3-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-N-propylbutan-1-amine?
The canonical SMILES for 3-methoxy-3-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-N-propylbutan-1-amine is CCCNC(CC(C)(C)OC)C1CCOC2(CCC2)C1.
What is the InChIKey of 3-methoxy-3-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-N-propylbutan-1-amine?
The InChIKey is CPLHVUCZEGUYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2/c1-5-10-18-15(13-16(2,3)19-4)14-7-11-20-17(12-14)8-6-9-17/h14-15,18H,5-13H2,1-4H3.
What are the key properties of 3-methoxy-3-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-N-propylbutan-1-amine?
3-methoxy-3-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-N-propylbutan-1-amine has a molecular weight of 283.46 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-N-propylbutan-1-amine is sourced from PubChem (CID 103028543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).