3-(3-methylpentan-2-yl)-3,9-diazaspiro[5.5]undecane

C15H30N2 — CID 112751094

IUPAC3-(3-methylpentan-2-yl)-3,9-diazaspiro[5.5]undecane
SMILESCCC(C)C(C)N1CCC2(CCNCC2)CC1
InChIInChI=1S/C15H30N2/c1-4-13(2)14(3)17-11-7-15(8-12-17)5-9-16-10-6-15/h13-14,16H,4-12H2,1-3H3
InChIKeyIHLXLFCIWPILBA-UHFFFAOYSA-N
MW238.42 g/mol
LogP2.89
Rot. Bonds3

About 3-(3-methylpentan-2-yl)-3,9-diazaspiro[5.5]undecane

3-(3-methylpentan-2-yl)-3,9-diazaspiro[5.5]undecane (PubChem CID 112751094) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 3-(3-methylpentan-2-yl)-3,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name3-(3-methylpentan-2-yl)-3,9-diazaspiro[5.5]undecane
PubChem CID112751094
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name3-(3-methylpentan-2-yl)-3,9-diazaspiro[5.5]undecane
SMILESCCC(C)C(C)N1CCC2(CCNCC2)CC1
InChIInChI=1S/C15H30N2/c1-4-13(2)14(3)17-11-7-15(8-12-17)5-9-16-10-6-15/h13-14,16H,4-12H2,1-3H3
InChIKeyIHLXLFCIWPILBA-UHFFFAOYSA-N
XLogP2.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(8-azaspiro[4.5]decan-8-yl)-2-methyl-N-propan-2-ylbutan-1-amine
CID 79409918
3-(8-azaspiro[4.5]decan-8-yl)-N,2-dimethylbutan-1-amine
CID 79409713
6-azaspiro[2.5]octane;ethane;propane
CID 176979994
1-(3-methylpentan-2-yl)-4-propylpiperidine-4-carboxylic acid
CID 65064765
methane;bis(3-methyl-3,9-diazaspiro[5.5]undecane)
CID 158463391
2-propan-2-yl-2,7-diazaspiro[4.4]nonane
CID 58821247
2-methylpropyl 3,9-diazaspiro[5.5]undecane-3-carboxylate
CID 97449150
7-azaspiro[3.5]nonane;propane
CID 91104176
1-(3,9-diazaspiro[5.5]undecan-3-yl)-2-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)ethanone
CID 177010579
1-(2,7-diazaspiro[4.4]nonan-2-yl)ethanamine
CID 163884377
methyl 3-(2,7-diazaspiro[4.4]nonan-2-yl)-2-methylbutanoate
CID 112740327
2-(3-methylbutyl)-2,8-diazaspiro[4.5]decane
CID 82470794

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylpentan-2-yl)-3,9-diazaspiro[5.5]undecane?
The IUPAC name of 3-(3-methylpentan-2-yl)-3,9-diazaspiro[5.5]undecane (CID 112751094) is 3-(3-methylpentan-2-yl)-3,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 3-(3-methylpentan-2-yl)-3,9-diazaspiro[5.5]undecane?
The canonical SMILES for 3-(3-methylpentan-2-yl)-3,9-diazaspiro[5.5]undecane is CCC(C)C(C)N1CCC2(CCNCC2)CC1.
What is the InChIKey of 3-(3-methylpentan-2-yl)-3,9-diazaspiro[5.5]undecane?
The InChIKey is IHLXLFCIWPILBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-4-13(2)14(3)17-11-7-15(8-12-17)5-9-16-10-6-15/h13-14,16H,4-12H2,1-3H3.
What are the key properties of 3-(3-methylpentan-2-yl)-3,9-diazaspiro[5.5]undecane?
3-(3-methylpentan-2-yl)-3,9-diazaspiro[5.5]undecane has a molecular weight of 238.42 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylpentan-2-yl)-3,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 112751094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).