3-ethyl-1-(oxan-4-ylmethyl)-1,4-diazaspiro[5.5]undecane

C17H32N2O — CID 64843741

IUPAC3-ethyl-1-(oxan-4-ylmethyl)-1,4-diazaspiro[5.5]undecane
SMILESCCC1CN(CC2CCOCC2)C2(CCCCC2)CN1
InChIInChI=1S/C17H32N2O/c1-2-16-13-19(12-15-6-10-20-11-7-15)17(14-18-16)8-4-3-5-9-17/h15-16,18H,2-14H2,1H3
InChIKeyLVLYRYSOYNPXGP-UHFFFAOYSA-N
MW280.46 g/mol
LogP2.80
Rot. Bonds3

About 3-ethyl-1-(oxan-4-ylmethyl)-1,4-diazaspiro[5.5]undecane

3-ethyl-1-(oxan-4-ylmethyl)-1,4-diazaspiro[5.5]undecane (PubChem CID 64843741) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 3-ethyl-1-(oxan-4-ylmethyl)-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name3-ethyl-1-(oxan-4-ylmethyl)-1,4-diazaspiro[5.5]undecane
PubChem CID64843741
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name3-ethyl-1-(oxan-4-ylmethyl)-1,4-diazaspiro[5.5]undecane
SMILESCCC1CN(CC2CCOCC2)C2(CCCCC2)CN1
InChIInChI=1S/C17H32N2O/c1-2-16-13-19(12-15-6-10-20-11-7-15)17(14-18-16)8-4-3-5-9-17/h15-16,18H,2-14H2,1H3
InChIKeyLVLYRYSOYNPXGP-UHFFFAOYSA-N
XLogP2.80
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclobutylmethyl)-3-propyl-1,4-diazaspiro[5.5]undecane
CID 65460666
3-ethyl-1-(2-fluoroethyl)-1,4-diazaspiro[5.5]undecane
CID 80697421
3-ethyl-1-octyl-1,4-diazaspiro[5.5]undecane
CID 64843543
1-[(E)-but-2-enyl]-3-ethyl-1,4-diazaspiro[5.5]undecane
CID 114013930
3-ethyl-1-[2-(2-methoxyethoxy)ethyl]-1,4-diazaspiro[5.5]undecane
CID 64842964
1-(cyclobutylmethyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 65461470
1-(cyclopentylmethyl)-2,2,5-triethylpiperazine
CID 64841400
8-ethyl-6-(3-fluoropropyl)-6,9-diazaspiro[4.5]decane
CID 81114428
8-ethyl-6-(3-ethylsulfonylpropyl)-6,9-diazaspiro[4.5]decane
CID 65097005
8-butan-2-yl-6-(cyclobutylmethyl)-6,9-diazaspiro[4.5]decane
CID 65462680
2,2-diethyl-5-methyl-1-(oxan-4-ylmethyl)piperazine
CID 64846119
3-(2-methylpropyl)-1-(oxolan-2-ylmethyl)-1,4-diazaspiro[5.5]undecane
CID 64849737

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(oxan-4-ylmethyl)-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 3-ethyl-1-(oxan-4-ylmethyl)-1,4-diazaspiro[5.5]undecane (CID 64843741) is 3-ethyl-1-(oxan-4-ylmethyl)-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 3-ethyl-1-(oxan-4-ylmethyl)-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 3-ethyl-1-(oxan-4-ylmethyl)-1,4-diazaspiro[5.5]undecane is CCC1CN(CC2CCOCC2)C2(CCCCC2)CN1.
What is the InChIKey of 3-ethyl-1-(oxan-4-ylmethyl)-1,4-diazaspiro[5.5]undecane?
The InChIKey is LVLYRYSOYNPXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-2-16-13-19(12-15-6-10-20-11-7-15)17(14-18-16)8-4-3-5-9-17/h15-16,18H,2-14H2,1H3.
What are the key properties of 3-ethyl-1-(oxan-4-ylmethyl)-1,4-diazaspiro[5.5]undecane?
3-ethyl-1-(oxan-4-ylmethyl)-1,4-diazaspiro[5.5]undecane has a molecular weight of 280.46 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(oxan-4-ylmethyl)-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 64843741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).