3-tert-butyl-9-(2,2-dimethylpropyl)-3,9-diazaspiro[5.5]undecane

C18H36N2 — CID 156551247

IUPAC3-tert-butyl-9-(2,2-dimethylpropyl)-3,9-diazaspiro[5.5]undecane
SMILESCC(C)(C)CN1CCC2(CC1)CCN(C(C)(C)C)CC2
InChIInChI=1S/C18H36N2/c1-16(2,3)15-19-11-7-18(8-12-19)9-13-20(14-10-18)17(4,5)6/h7-15H2,1-6H3
InChIKeyWSVBXEGRRSICGD-UHFFFAOYSA-N
MW280.50 g/mol
LogP4.01
Rot. Bonds1

About 3-tert-butyl-9-(2,2-dimethylpropyl)-3,9-diazaspiro[5.5]undecane

3-tert-butyl-9-(2,2-dimethylpropyl)-3,9-diazaspiro[5.5]undecane (PubChem CID 156551247) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 3-tert-butyl-9-(2,2-dimethylpropyl)-3,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name3-tert-butyl-9-(2,2-dimethylpropyl)-3,9-diazaspiro[5.5]undecane
PubChem CID156551247
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name3-tert-butyl-9-(2,2-dimethylpropyl)-3,9-diazaspiro[5.5]undecane
SMILESCC(C)(C)CN1CCC2(CC1)CCN(C(C)(C)C)CC2
InChIInChI=1S/C18H36N2/c1-16(2,3)15-19-11-7-18(8-12-19)9-13-20(14-10-18)17(4,5)6/h7-15H2,1-6H3
InChIKeyWSVBXEGRRSICGD-UHFFFAOYSA-N
XLogP4.01
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butyl-7-(2,2-dimethylpropyl)-2,7-diazaspiro[3.5]nonane
CID 171406778
8-tert-butyl-2-ethyl-2,8-diazaspiro[4.5]decane
CID 147776127
7-(2,2-dimethylpropyl)-2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonane
CID 159552741
2-tert-butyl-8-(3,3-dimethylbutyl)-2,8-diazaspiro[4.5]decane
CID 153486080
8-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-2,8-diazaspiro[4.5]decane
CID 146549060
2-tert-butyl-2-azaspiro[4.4]nonane;7-tert-butyl-7-azaspiro[3.5]nonane;6-tert-butyl-6-azaspiro[3.4]octane
CID 167549222
1,4-bis(2,2-dimethylpropyl)piperidin-4-ol
CID 177120339
2-tert-butyl-7-(3,3-dimethylbutyl)-2,7-diazaspiro[3.4]octane
CID 153485931
1-(2,2-dimethylpropyl)azocane
CID 131007399
3-tert-butyl-9-(4-tert-butylpiperazin-1-yl)-3-azaspiro[5.5]undecane
CID 59505474
3-(7-azaspiro[3.5]nonan-7-yl)-2,2-dimethylpropanal
CID 130643090
7-tert-butyl-2-fluoro-7-azaspiro[3.5]nonane
CID 154931410

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-9-(2,2-dimethylpropyl)-3,9-diazaspiro[5.5]undecane?
The IUPAC name of 3-tert-butyl-9-(2,2-dimethylpropyl)-3,9-diazaspiro[5.5]undecane (CID 156551247) is 3-tert-butyl-9-(2,2-dimethylpropyl)-3,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 3-tert-butyl-9-(2,2-dimethylpropyl)-3,9-diazaspiro[5.5]undecane?
The canonical SMILES for 3-tert-butyl-9-(2,2-dimethylpropyl)-3,9-diazaspiro[5.5]undecane is CC(C)(C)CN1CCC2(CC1)CCN(C(C)(C)C)CC2.
What is the InChIKey of 3-tert-butyl-9-(2,2-dimethylpropyl)-3,9-diazaspiro[5.5]undecane?
The InChIKey is WSVBXEGRRSICGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-16(2,3)15-19-11-7-18(8-12-19)9-13-20(14-10-18)17(4,5)6/h7-15H2,1-6H3.
What are the key properties of 3-tert-butyl-9-(2,2-dimethylpropyl)-3,9-diazaspiro[5.5]undecane?
3-tert-butyl-9-(2,2-dimethylpropyl)-3,9-diazaspiro[5.5]undecane has a molecular weight of 280.50 g/mol, XLogP of 4.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-9-(2,2-dimethylpropyl)-3,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 156551247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).