2-tert-butyl-8-(3,3-dimethylbutyl)-2,8-diazaspiro[4.5]decane

C18H36N2 — CID 153486080

IUPAC2-tert-butyl-8-(3,3-dimethylbutyl)-2,8-diazaspiro[4.5]decane
SMILESCC(C)(C)CCN1CCC2(CC1)CCN(C(C)(C)C)C2
InChIInChI=1S/C18H36N2/c1-16(2,3)7-11-19-12-8-18(9-13-19)10-14-20(15-18)17(4,5)6/h7-15H2,1-6H3
InChIKeySZTDEEITKXWEIE-UHFFFAOYSA-N
MW280.50 g/mol
LogP4.01
Rot. Bonds2

About 2-tert-butyl-8-(3,3-dimethylbutyl)-2,8-diazaspiro[4.5]decane

2-tert-butyl-8-(3,3-dimethylbutyl)-2,8-diazaspiro[4.5]decane (PubChem CID 153486080) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 2-tert-butyl-8-(3,3-dimethylbutyl)-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-tert-butyl-8-(3,3-dimethylbutyl)-2,8-diazaspiro[4.5]decane
PubChem CID153486080
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name2-tert-butyl-8-(3,3-dimethylbutyl)-2,8-diazaspiro[4.5]decane
SMILESCC(C)(C)CCN1CCC2(CC1)CCN(C(C)(C)C)C2
InChIInChI=1S/C18H36N2/c1-16(2,3)7-11-19-12-8-18(9-13-19)10-14-20(15-18)17(4,5)6/h7-15H2,1-6H3
InChIKeySZTDEEITKXWEIE-UHFFFAOYSA-N
XLogP4.01
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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-(3,3-dimethylbutyl)-2,7-diazaspiro[3.4]octane
CID 153485931
2-(2-tert-butyl-2,8-diazaspiro[4.5]decan-8-yl)acetic acid
CID 138746899
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
3-tert-butyl-9-(2,2-dimethylpropyl)-3,9-diazaspiro[5.5]undecane
CID 156551247
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-(3,3-dimethylbutyl)azocane
CID 166986973
7-tert-butyl-2-ethyl-2,7-diazaspiro[4.5]decane
CID 118001208
8-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-2,8-diazaspiro[4.5]decane
CID 146549060
8-tert-butyl-8-azaspiro[4.5]decane;6-tert-butyl-6-azaspiro[3.5]nonane;7-tert-butyl-7-azaspiro[3.5]nonane;5-tert-butyl-5-azaspiro[2.5]octane;6-tert-butyl-6-azaspiro[2.5]octane;2-tert-butyl-2-azaspiro[5.5]undecane;3-tert-butyl-3-azaspiro[5.5]undecane
CID 159153104
7-(azetidin-3-ylmethyl)-2-tert-butyl-2,7-diazaspiro[3.5]nonane
CID 172511446
N-[2-(3-azaspiro[5.5]undecan-3-yl)ethyl]-3,3-dimethylbutan-1-amine
CID 63502262

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-8-(3,3-dimethylbutyl)-2,8-diazaspiro[4.5]decane?
The IUPAC name of 2-tert-butyl-8-(3,3-dimethylbutyl)-2,8-diazaspiro[4.5]decane (CID 153486080) is 2-tert-butyl-8-(3,3-dimethylbutyl)-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 2-tert-butyl-8-(3,3-dimethylbutyl)-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 2-tert-butyl-8-(3,3-dimethylbutyl)-2,8-diazaspiro[4.5]decane is CC(C)(C)CCN1CCC2(CC1)CCN(C(C)(C)C)C2.
What is the InChIKey of 2-tert-butyl-8-(3,3-dimethylbutyl)-2,8-diazaspiro[4.5]decane?
The InChIKey is SZTDEEITKXWEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-16(2,3)7-11-19-12-8-18(9-13-19)10-14-20(15-18)17(4,5)6/h7-15H2,1-6H3.
What are the key properties of 2-tert-butyl-8-(3,3-dimethylbutyl)-2,8-diazaspiro[4.5]decane?
2-tert-butyl-8-(3,3-dimethylbutyl)-2,8-diazaspiro[4.5]decane has a molecular weight of 280.50 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-8-(3,3-dimethylbutyl)-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 153486080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).