ethane;8-[(5-methyloxolan-2-yl)methyl]-4-oxa-1,8-diazaspiro[5.5]undecane

C16H32N2O2 — CID 145365004

IUPACethane;8-[(5-methyloxolan-2-yl)methyl]-4-oxa-1,8-diazaspiro[5.5]undecane
SMILESCC.CC1CCC(CN2CCCC3(COCCN3)C2)O1
InChIInChI=1S/C14H26N2O2.C2H6/c1-12-3-4-13(18-12)9-16-7-2-5-14(10-16)11-17-8-6-15-14;1-2/h12-13,15H,2-11H2,1H3;1-2H3
InChIKeyPFQNKCMSEGZPQA-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.03
Rot. Bonds2

About ethane;8-[(5-methyloxolan-2-yl)methyl]-4-oxa-1,8-diazaspiro[5.5]undecane

ethane;8-[(5-methyloxolan-2-yl)methyl]-4-oxa-1,8-diazaspiro[5.5]undecane (PubChem CID 145365004) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is ethane;8-[(5-methyloxolan-2-yl)methyl]-4-oxa-1,8-diazaspiro[5.5]undecane.

Molecular Properties

Compound Nameethane;8-[(5-methyloxolan-2-yl)methyl]-4-oxa-1,8-diazaspiro[5.5]undecane
PubChem CID145365004
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Nameethane;8-[(5-methyloxolan-2-yl)methyl]-4-oxa-1,8-diazaspiro[5.5]undecane
SMILESCC.CC1CCC(CN2CCCC3(COCCN3)C2)O1
InChIInChI=1S/C14H26N2O2.C2H6/c1-12-3-4-13(18-12)9-16-7-2-5-14(10-16)11-17-8-6-15-14;1-2/h12-13,15H,2-11H2,1H3;1-2H3
InChIKeyPFQNKCMSEGZPQA-UHFFFAOYSA-N
XLogP2.03
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;8-[(5-methyloxolan-2-yl)methyl]-4-oxa-1,8-diazaspiro[5.5]undecane?
The IUPAC name of ethane;8-[(5-methyloxolan-2-yl)methyl]-4-oxa-1,8-diazaspiro[5.5]undecane (CID 145365004) is ethane;8-[(5-methyloxolan-2-yl)methyl]-4-oxa-1,8-diazaspiro[5.5]undecane.
What is the SMILES notation for ethane;8-[(5-methyloxolan-2-yl)methyl]-4-oxa-1,8-diazaspiro[5.5]undecane?
The canonical SMILES for ethane;8-[(5-methyloxolan-2-yl)methyl]-4-oxa-1,8-diazaspiro[5.5]undecane is CC.CC1CCC(CN2CCCC3(COCCN3)C2)O1.
What is the InChIKey of ethane;8-[(5-methyloxolan-2-yl)methyl]-4-oxa-1,8-diazaspiro[5.5]undecane?
The InChIKey is PFQNKCMSEGZPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2.C2H6/c1-12-3-4-13(18-12)9-16-7-2-5-14(10-16)11-17-8-6-15-14;1-2/h12-13,15H,2-11H2,1H3;1-2H3.
What are the key properties of ethane;8-[(5-methyloxolan-2-yl)methyl]-4-oxa-1,8-diazaspiro[5.5]undecane?
ethane;8-[(5-methyloxolan-2-yl)methyl]-4-oxa-1,8-diazaspiro[5.5]undecane has a molecular weight of 284.44 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;8-[(5-methyloxolan-2-yl)methyl]-4-oxa-1,8-diazaspiro[5.5]undecane is sourced from PubChem (CID 145365004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).