2-tert-butyl-7-(3,3-dimethylbutyl)-2,7-diazaspiro[3.4]octane

C16H32N2 — CID 153485931

IUPAC2-tert-butyl-7-(3,3-dimethylbutyl)-2,7-diazaspiro[3.4]octane
SMILESCC(C)(C)CCN1CCC2(C1)CN(C(C)(C)C)C2
InChIInChI=1S/C16H32N2/c1-14(2,3)7-9-17-10-8-16(11-17)12-18(13-16)15(4,5)6/h7-13H2,1-6H3
InChIKeyBNDVSXMYWRSVHN-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.23
Rot. Bonds2

About 2-tert-butyl-7-(3,3-dimethylbutyl)-2,7-diazaspiro[3.4]octane

2-tert-butyl-7-(3,3-dimethylbutyl)-2,7-diazaspiro[3.4]octane (PubChem CID 153485931) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 2-tert-butyl-7-(3,3-dimethylbutyl)-2,7-diazaspiro[3.4]octane.

Molecular Properties

Compound Name2-tert-butyl-7-(3,3-dimethylbutyl)-2,7-diazaspiro[3.4]octane
PubChem CID153485931
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name2-tert-butyl-7-(3,3-dimethylbutyl)-2,7-diazaspiro[3.4]octane
SMILESCC(C)(C)CCN1CCC2(C1)CN(C(C)(C)C)C2
InChIInChI=1S/C16H32N2/c1-14(2,3)7-9-17-10-8-16(11-17)12-18(13-16)15(4,5)6/h7-13H2,1-6H3
InChIKeyBNDVSXMYWRSVHN-UHFFFAOYSA-N
XLogP3.23
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butyl-8-(3,3-dimethylbutyl)-2,8-diazaspiro[4.5]decane
CID 153486080
2-tert-butyl-7-(2-ethoxyethyl)-2,7-diazaspiro[3.4]octane
CID 166567281
2-tert-butyl-7-(2,2-dimethylpropyl)-2,7-diazaspiro[3.5]nonane
CID 171406778
2-tert-butyl-7-methylsulfanyl-2,7-diazaspiro[3.4]octane
CID 138580292
8-tert-butyl-2-ethyl-2,8-diazaspiro[4.5]decane
CID 147776127
7-(azetidin-3-ylmethyl)-2-tert-butyl-2,7-diazaspiro[3.5]nonane
CID 172511446
7-tert-butyl-2-ethyl-2,7-diazaspiro[4.5]decane
CID 118001208
3-tert-butyl-9-(2,2-dimethylpropyl)-3,9-diazaspiro[5.5]undecane
CID 156551247
1-(2-tert-butyl-2,7-diazaspiro[3.5]nonan-7-yl)-3,3-dimethylbutan-2-one
CID 168726993
1-(3,3-dimethylbutyl)azocane
CID 166986973
2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;1,4-ditert-butylpiperazine
CID 159767975
2-ethyl-6-(3,3,3-trifluoropropyl)-6-azaspiro[3.4]octane
CID 170739932

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-7-(3,3-dimethylbutyl)-2,7-diazaspiro[3.4]octane?
The IUPAC name of 2-tert-butyl-7-(3,3-dimethylbutyl)-2,7-diazaspiro[3.4]octane (CID 153485931) is 2-tert-butyl-7-(3,3-dimethylbutyl)-2,7-diazaspiro[3.4]octane.
What is the SMILES notation for 2-tert-butyl-7-(3,3-dimethylbutyl)-2,7-diazaspiro[3.4]octane?
The canonical SMILES for 2-tert-butyl-7-(3,3-dimethylbutyl)-2,7-diazaspiro[3.4]octane is CC(C)(C)CCN1CCC2(C1)CN(C(C)(C)C)C2.
What is the InChIKey of 2-tert-butyl-7-(3,3-dimethylbutyl)-2,7-diazaspiro[3.4]octane?
The InChIKey is BNDVSXMYWRSVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-14(2,3)7-9-17-10-8-16(11-17)12-18(13-16)15(4,5)6/h7-13H2,1-6H3.
What are the key properties of 2-tert-butyl-7-(3,3-dimethylbutyl)-2,7-diazaspiro[3.4]octane?
2-tert-butyl-7-(3,3-dimethylbutyl)-2,7-diazaspiro[3.4]octane has a molecular weight of 252.45 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-7-(3,3-dimethylbutyl)-2,7-diazaspiro[3.4]octane is sourced from PubChem (CID 153485931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).