5-tert-butyl-6-(2,2-dimethylpropyl)-2,5-diazaspiro[3.5]nonane

C16H32N2 — CID 138605235

IUPAC5-tert-butyl-6-(2,2-dimethylpropyl)-2,5-diazaspiro[3.5]nonane
SMILESCC(C)(C)CC1CCCC2(CNC2)N1C(C)(C)C
InChIInChI=1S/C16H32N2/c1-14(2,3)10-13-8-7-9-16(11-17-12-16)18(13)15(4,5)6/h13,17H,7-12H2,1-6H3
InChIKeyAZACFIMIGBFKIT-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.42
Rot. Bonds1

About 5-tert-butyl-6-(2,2-dimethylpropyl)-2,5-diazaspiro[3.5]nonane

5-tert-butyl-6-(2,2-dimethylpropyl)-2,5-diazaspiro[3.5]nonane (PubChem CID 138605235) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 5-tert-butyl-6-(2,2-dimethylpropyl)-2,5-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name5-tert-butyl-6-(2,2-dimethylpropyl)-2,5-diazaspiro[3.5]nonane
PubChem CID138605235
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name5-tert-butyl-6-(2,2-dimethylpropyl)-2,5-diazaspiro[3.5]nonane
SMILESCC(C)(C)CC1CCCC2(CNC2)N1C(C)(C)C
InChIInChI=1S/C16H32N2/c1-14(2,3)10-13-8-7-9-16(11-17-12-16)18(13)15(4,5)6/h13,17H,7-12H2,1-6H3
InChIKeyAZACFIMIGBFKIT-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-6-(2,2-dimethylpropyl)-2,5-diazaspiro[3.5]nonane?
The IUPAC name of 5-tert-butyl-6-(2,2-dimethylpropyl)-2,5-diazaspiro[3.5]nonane (CID 138605235) is 5-tert-butyl-6-(2,2-dimethylpropyl)-2,5-diazaspiro[3.5]nonane.
What is the SMILES notation for 5-tert-butyl-6-(2,2-dimethylpropyl)-2,5-diazaspiro[3.5]nonane?
The canonical SMILES for 5-tert-butyl-6-(2,2-dimethylpropyl)-2,5-diazaspiro[3.5]nonane is CC(C)(C)CC1CCCC2(CNC2)N1C(C)(C)C.
What is the InChIKey of 5-tert-butyl-6-(2,2-dimethylpropyl)-2,5-diazaspiro[3.5]nonane?
The InChIKey is AZACFIMIGBFKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-14(2,3)10-13-8-7-9-16(11-17-12-16)18(13)15(4,5)6/h13,17H,7-12H2,1-6H3.
What are the key properties of 5-tert-butyl-6-(2,2-dimethylpropyl)-2,5-diazaspiro[3.5]nonane?
5-tert-butyl-6-(2,2-dimethylpropyl)-2,5-diazaspiro[3.5]nonane has a molecular weight of 252.45 g/mol, XLogP of 3.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-6-(2,2-dimethylpropyl)-2,5-diazaspiro[3.5]nonane is sourced from PubChem (CID 138605235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).