3-(2-methylpropyl)-1-(oxolan-2-ylmethyl)-1,4-diazaspiro[5.5]undecane

C18H34N2O — CID 64849737

IUPAC3-(2-methylpropyl)-1-(oxolan-2-ylmethyl)-1,4-diazaspiro[5.5]undecane
SMILESCC(C)CC1CN(CC2CCCO2)C2(CCCCC2)CN1
InChIInChI=1S/C18H34N2O/c1-15(2)11-16-12-20(13-17-7-6-10-21-17)18(14-19-16)8-4-3-5-9-18/h15-17,19H,3-14H2,1-2H3
InChIKeyXSPOXUTWIOTETF-UHFFFAOYSA-N
MW294.48 g/mol
LogP3.19
Rot. Bonds4

About 3-(2-methylpropyl)-1-(oxolan-2-ylmethyl)-1,4-diazaspiro[5.5]undecane

3-(2-methylpropyl)-1-(oxolan-2-ylmethyl)-1,4-diazaspiro[5.5]undecane (PubChem CID 64849737) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is 3-(2-methylpropyl)-1-(oxolan-2-ylmethyl)-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name3-(2-methylpropyl)-1-(oxolan-2-ylmethyl)-1,4-diazaspiro[5.5]undecane
PubChem CID64849737
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC Name3-(2-methylpropyl)-1-(oxolan-2-ylmethyl)-1,4-diazaspiro[5.5]undecane
SMILESCC(C)CC1CN(CC2CCCO2)C2(CCCCC2)CN1
InChIInChI=1S/C18H34N2O/c1-15(2)11-16-12-20(13-17-7-6-10-21-17)18(14-19-16)8-4-3-5-9-18/h15-17,19H,3-14H2,1-2H3
InChIKeyXSPOXUTWIOTETF-UHFFFAOYSA-N
XLogP3.19
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-methyl-6-(oxan-2-ylmethyl)-6,9-diazaspiro[4.5]decane
CID 64844942
3-(2-methylpropyl)-1-propyl-1,4-diazaspiro[5.5]undecane
CID 64849927
1-butyl-3-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane
CID 64848961
3-(2-methylpropyl)-1-(oxan-2-ylmethyl)piperazine
CID 64834625
1-hexyl-3-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane
CID 64850121
8-(2-methylpropyl)-6-pentyl-6,9-diazaspiro[4.5]decane
CID 64847996
6-benzyl-8-(2-methylpropyl)-6,9-diazaspiro[4.5]decane
CID 64848189
3-ethyl-1-(oxan-4-ylmethyl)-1,4-diazaspiro[5.5]undecane
CID 64843741
3-cyclopropyl-1-[2-(oxolan-2-yl)ethyl]-1,4-diazaspiro[5.5]undecane
CID 65170538
6-[(5-chlorothiophen-2-yl)methyl]-8-(2-methylpropyl)-6,9-diazaspiro[4.5]decane
CID 64848575
8-tert-butyl-6-[2-(oxolan-2-yl)ethyl]-6,9-diazaspiro[4.5]decane
CID 65170578
1-(cyclobutylmethyl)-3-propyl-1,4-diazaspiro[5.5]undecane
CID 65460666

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-1-(oxolan-2-ylmethyl)-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 3-(2-methylpropyl)-1-(oxolan-2-ylmethyl)-1,4-diazaspiro[5.5]undecane (CID 64849737) is 3-(2-methylpropyl)-1-(oxolan-2-ylmethyl)-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 3-(2-methylpropyl)-1-(oxolan-2-ylmethyl)-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 3-(2-methylpropyl)-1-(oxolan-2-ylmethyl)-1,4-diazaspiro[5.5]undecane is CC(C)CC1CN(CC2CCCO2)C2(CCCCC2)CN1.
What is the InChIKey of 3-(2-methylpropyl)-1-(oxolan-2-ylmethyl)-1,4-diazaspiro[5.5]undecane?
The InChIKey is XSPOXUTWIOTETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O/c1-15(2)11-16-12-20(13-17-7-6-10-21-17)18(14-19-16)8-4-3-5-9-18/h15-17,19H,3-14H2,1-2H3.
What are the key properties of 3-(2-methylpropyl)-1-(oxolan-2-ylmethyl)-1,4-diazaspiro[5.5]undecane?
3-(2-methylpropyl)-1-(oxolan-2-ylmethyl)-1,4-diazaspiro[5.5]undecane has a molecular weight of 294.48 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-1-(oxolan-2-ylmethyl)-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 64849737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).