4-(oxolan-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane

C13H24N2O2 — CID 102567449

IUPAC4-(oxolan-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESC1COC(CN2CCOC3(CCNCC3)C2)C1
InChIInChI=1S/C13H24N2O2/c1-2-12(16-8-1)10-15-7-9-17-13(11-15)3-5-14-6-4-13/h12,14H,1-11H2
InChIKeyNOZCQDCYRYNLRI-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.62
Rot. Bonds2

About 4-(oxolan-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane

4-(oxolan-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane (PubChem CID 102567449) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 4-(oxolan-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name4-(oxolan-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
PubChem CID102567449
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name4-(oxolan-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESC1COC(CN2CCOC3(CCNCC3)C2)C1
InChIInChI=1S/C13H24N2O2/c1-2-12(16-8-1)10-15-7-9-17-13(11-15)3-5-14-6-4-13/h12,14H,1-11H2
InChIKeyNOZCQDCYRYNLRI-UHFFFAOYSA-N
XLogP0.62
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(oxan-2-ylmethyl)piperazine
CID 14981447
3,3-dimethyl-1-(oxolan-2-ylmethyl)piperazine
CID 64834436
2-[[(2R)-oxolan-2-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one
CID 129372530
4-cyclopropyl-1-oxa-4,9-diazaspiro[5.5]undecane
CID 66661332
1-(oxolan-2-ylmethyl)piperidine-4,4-dicarboxylic acid
CID 117007978
[3,3-dimethyl-1-(oxolan-2-ylmethyl)piperidin-4-yl]methanol
CID 117024917
N-methyl-1-[3-methyl-1-(oxolan-2-ylmethyl)pyrrolidin-3-yl]methanamine
CID 106318686
3-cyclopropyl-3-methyl-1-(oxan-2-ylmethyl)-1,4-diazepane
CID 64869910
1-(iodomethyl)-4-(oxolan-2-ylmethyl)piperazine
CID 163911646
3-methyl-1-(oxolan-2-ylmethyl)-1,4-diazepane
CID 64858824
4-[(2-methylcyclohexyl)methyl]-1,9-dioxa-4-azaspiro[5.5]undecane
CID 91660413
[1-(oxolan-2-ylmethyl)piperazin-2-yl]methanol
CID 82241239

Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane?
The IUPAC name of 4-(oxolan-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane (CID 102567449) is 4-(oxolan-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 4-(oxolan-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane?
The canonical SMILES for 4-(oxolan-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane is C1COC(CN2CCOC3(CCNCC3)C2)C1.
What is the InChIKey of 4-(oxolan-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane?
The InChIKey is NOZCQDCYRYNLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-2-12(16-8-1)10-15-7-9-17-13(11-15)3-5-14-6-4-13/h12,14H,1-11H2.
What are the key properties of 4-(oxolan-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane?
4-(oxolan-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane has a molecular weight of 240.35 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 102567449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).