6-[1-(8-propan-2-yl-2-oxa-8-azaspiro[3.5]nonan-3-yl)propan-2-yl]-2-oxa-6,9-diazaspiro[4.5]decane

C20H37N3O2 — CID 170026660

IUPAC6-[1-(8-propan-2-yl-2-oxa-8-azaspiro[3.5]nonan-3-yl)propan-2-yl]-2-oxa-6,9-diazaspiro[4.5]decane
SMILESCC(C)N1CCCC2(COC2CC(C)N2CCNCC23CCOC3)C1
InChIInChI=1S/C20H37N3O2/c1-16(2)22-8-4-5-19(13-22)14-25-18(19)11-17(3)23-9-7-21-12-20(23)6-10-24-15-20/h16-18,21H,4-15H2,1-3H3
InChIKeyWIJLVCXMXBZJEN-UHFFFAOYSA-N
MW351.54 g/mol
LogP1.72
Rot. Bonds4

About 6-[1-(8-propan-2-yl-2-oxa-8-azaspiro[3.5]nonan-3-yl)propan-2-yl]-2-oxa-6,9-diazaspiro[4.5]decane

6-[1-(8-propan-2-yl-2-oxa-8-azaspiro[3.5]nonan-3-yl)propan-2-yl]-2-oxa-6,9-diazaspiro[4.5]decane (PubChem CID 170026660) has the molecular formula C20H37N3O2 and a molecular weight of 351.54 g/mol. Its IUPAC name is 6-[1-(8-propan-2-yl-2-oxa-8-azaspiro[3.5]nonan-3-yl)propan-2-yl]-2-oxa-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name6-[1-(8-propan-2-yl-2-oxa-8-azaspiro[3.5]nonan-3-yl)propan-2-yl]-2-oxa-6,9-diazaspiro[4.5]decane
PubChem CID170026660
Molecular FormulaC20H37N3O2
Molecular Weight351.54 g/mol
Exact Mass351.29
IUPAC Name6-[1-(8-propan-2-yl-2-oxa-8-azaspiro[3.5]nonan-3-yl)propan-2-yl]-2-oxa-6,9-diazaspiro[4.5]decane
SMILESCC(C)N1CCCC2(COC2CC(C)N2CCNCC23CCOC3)C1
InChIInChI=1S/C20H37N3O2/c1-16(2)22-8-4-5-19(13-22)14-25-18(19)11-17(3)23-9-7-21-12-20(23)6-10-24-15-20/h16-18,21H,4-15H2,1-3H3
InChIKeyWIJLVCXMXBZJEN-UHFFFAOYSA-N
XLogP1.72
TPSA36.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.54
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[1-(8-propan-2-yl-2-oxa-8-azaspiro[3.5]nonan-3-yl)propan-2-yl]-2-oxa-6,9-diazaspiro[4.5]decane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(8-propan-2-yl-2-oxa-8-azaspiro[3.5]nonan-3-yl)propan-2-yl]-2-oxa-6,9-diazaspiro[4.5]decane?
The IUPAC name of 6-[1-(8-propan-2-yl-2-oxa-8-azaspiro[3.5]nonan-3-yl)propan-2-yl]-2-oxa-6,9-diazaspiro[4.5]decane (CID 170026660) is 6-[1-(8-propan-2-yl-2-oxa-8-azaspiro[3.5]nonan-3-yl)propan-2-yl]-2-oxa-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 6-[1-(8-propan-2-yl-2-oxa-8-azaspiro[3.5]nonan-3-yl)propan-2-yl]-2-oxa-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 6-[1-(8-propan-2-yl-2-oxa-8-azaspiro[3.5]nonan-3-yl)propan-2-yl]-2-oxa-6,9-diazaspiro[4.5]decane is CC(C)N1CCCC2(COC2CC(C)N2CCNCC23CCOC3)C1.
What is the InChIKey of 6-[1-(8-propan-2-yl-2-oxa-8-azaspiro[3.5]nonan-3-yl)propan-2-yl]-2-oxa-6,9-diazaspiro[4.5]decane?
The InChIKey is WIJLVCXMXBZJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N3O2/c1-16(2)22-8-4-5-19(13-22)14-25-18(19)11-17(3)23-9-7-21-12-20(23)6-10-24-15-20/h16-18,21H,4-15H2,1-3H3.
What are the key properties of 6-[1-(8-propan-2-yl-2-oxa-8-azaspiro[3.5]nonan-3-yl)propan-2-yl]-2-oxa-6,9-diazaspiro[4.5]decane?
6-[1-(8-propan-2-yl-2-oxa-8-azaspiro[3.5]nonan-3-yl)propan-2-yl]-2-oxa-6,9-diazaspiro[4.5]decane has a molecular weight of 351.54 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(8-propan-2-yl-2-oxa-8-azaspiro[3.5]nonan-3-yl)propan-2-yl]-2-oxa-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 170026660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).