8-ethyl-6-[3-(oxolan-2-yl)propyl]-6,9-diazaspiro[4.5]decane

C17H32N2O — CID 65170232

IUPAC8-ethyl-6-[3-(oxolan-2-yl)propyl]-6,9-diazaspiro[4.5]decane
SMILESCCC1CN(CCCC2CCCO2)C2(CCCC2)CN1
InChIInChI=1S/C17H32N2O/c1-2-15-13-19(11-5-7-16-8-6-12-20-16)17(14-18-15)9-3-4-10-17/h15-16,18H,2-14H2,1H3
InChIKeyGYLBTBUPTVOOSM-UHFFFAOYSA-N
MW280.46 g/mol
LogP2.94
Rot. Bonds5

About 8-ethyl-6-[3-(oxolan-2-yl)propyl]-6,9-diazaspiro[4.5]decane

8-ethyl-6-[3-(oxolan-2-yl)propyl]-6,9-diazaspiro[4.5]decane (PubChem CID 65170232) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 8-ethyl-6-[3-(oxolan-2-yl)propyl]-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-ethyl-6-[3-(oxolan-2-yl)propyl]-6,9-diazaspiro[4.5]decane
PubChem CID65170232
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name8-ethyl-6-[3-(oxolan-2-yl)propyl]-6,9-diazaspiro[4.5]decane
SMILESCCC1CN(CCCC2CCCO2)C2(CCCC2)CN1
InChIInChI=1S/C17H32N2O/c1-2-15-13-19(11-5-7-16-8-6-12-20-16)17(14-18-15)9-3-4-10-17/h15-16,18H,2-14H2,1H3
InChIKeyGYLBTBUPTVOOSM-UHFFFAOYSA-N
XLogP2.94
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-6-[3-(oxolan-2-yl)propyl]-6,9-diazaspiro[4.5]decane?
The IUPAC name of 8-ethyl-6-[3-(oxolan-2-yl)propyl]-6,9-diazaspiro[4.5]decane (CID 65170232) is 8-ethyl-6-[3-(oxolan-2-yl)propyl]-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 8-ethyl-6-[3-(oxolan-2-yl)propyl]-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 8-ethyl-6-[3-(oxolan-2-yl)propyl]-6,9-diazaspiro[4.5]decane is CCC1CN(CCCC2CCCO2)C2(CCCC2)CN1.
What is the InChIKey of 8-ethyl-6-[3-(oxolan-2-yl)propyl]-6,9-diazaspiro[4.5]decane?
The InChIKey is GYLBTBUPTVOOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-2-15-13-19(11-5-7-16-8-6-12-20-16)17(14-18-15)9-3-4-10-17/h15-16,18H,2-14H2,1H3.
What are the key properties of 8-ethyl-6-[3-(oxolan-2-yl)propyl]-6,9-diazaspiro[4.5]decane?
8-ethyl-6-[3-(oxolan-2-yl)propyl]-6,9-diazaspiro[4.5]decane has a molecular weight of 280.46 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-6-[3-(oxolan-2-yl)propyl]-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 65170232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).