tert-butyl 7-tert-butyl-1,7-diazaspiro[3.5]nonane-1-carboxylate

C16H30N2O2 — CID 134506707

IUPACtert-butyl 7-tert-butyl-1,7-diazaspiro[3.5]nonane-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC12CCN(C(C)(C)C)CC2
InChIInChI=1S/C16H30N2O2/c1-14(2,3)17-10-7-16(8-11-17)9-12-18(16)13(19)20-15(4,5)6/h7-12H2,1-6H3
InChIKeyVGBAJIJODRFNDZ-UHFFFAOYSA-N
MW282.43 g/mol
LogP3.26
Rot. Bonds

About tert-butyl 7-tert-butyl-1,7-diazaspiro[3.5]nonane-1-carboxylate

tert-butyl 7-tert-butyl-1,7-diazaspiro[3.5]nonane-1-carboxylate (PubChem CID 134506707) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is tert-butyl 7-tert-butyl-1,7-diazaspiro[3.5]nonane-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 7-tert-butyl-1,7-diazaspiro[3.5]nonane-1-carboxylate
PubChem CID134506707
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Nametert-butyl 7-tert-butyl-1,7-diazaspiro[3.5]nonane-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC12CCN(C(C)(C)C)CC2
InChIInChI=1S/C16H30N2O2/c1-14(2,3)17-10-7-16(8-11-17)9-12-18(16)13(19)20-15(4,5)6/h7-12H2,1-6H3
InChIKeyVGBAJIJODRFNDZ-UHFFFAOYSA-N
XLogP3.26
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 7-bromo-1-azaspiro[3.5]nonane-1-carboxylate
CID 155894832
tert-butyl 6-amino-1-azaspiro[3.3]heptane-1-carboxylate
CID 56962197
tert-butyl 7-oxa-10-azadispiro[2.1.25.33]decane-10-carboxylate
CID 139026509
tert-butyl 6-amino-1-azaspiro[3.4]octane-1-carboxylate
CID 138112241
tert-butyl 6-ethynyl-6-methyl-1-azaspiro[3.3]heptane-1-carboxylate
CID 170917651
tert-butyl 9-hydroxy-1-azaspiro[5.5]undecane-1-carboxylate
CID 155895162
tert-butyl 6-oxo-1,7-diazaspiro[3.4]octane-1-carboxylate
CID 170907562
tert-butyl 1,7-diazaspiro[3.4]octane-1-carboxylate;oxalic acid
CID 118705199
tert-butyl 2-oxa-5-azaspiro[3.4]octane-5-carboxylate
CID 54758971
tert-butyl 6-methylsulfonyloxy-1-azaspiro[3.3]heptane-1-carboxylate
CID 90156265
tert-butyl 4-tert-butylpiperazine-1-carboxylate;methane
CID 161367043
6-methoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-1-azaspiro[3.4]octane-7-carboxylic acid
CID 21307005

Frequently Asked Questions

What is the IUPAC name of tert-butyl 7-tert-butyl-1,7-diazaspiro[3.5]nonane-1-carboxylate?
The IUPAC name of tert-butyl 7-tert-butyl-1,7-diazaspiro[3.5]nonane-1-carboxylate (CID 134506707) is tert-butyl 7-tert-butyl-1,7-diazaspiro[3.5]nonane-1-carboxylate.
What is the SMILES notation for tert-butyl 7-tert-butyl-1,7-diazaspiro[3.5]nonane-1-carboxylate?
The canonical SMILES for tert-butyl 7-tert-butyl-1,7-diazaspiro[3.5]nonane-1-carboxylate is CC(C)(C)OC(=O)N1CCC12CCN(C(C)(C)C)CC2.
What is the InChIKey of tert-butyl 7-tert-butyl-1,7-diazaspiro[3.5]nonane-1-carboxylate?
The InChIKey is VGBAJIJODRFNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-14(2,3)17-10-7-16(8-11-17)9-12-18(16)13(19)20-15(4,5)6/h7-12H2,1-6H3.
What are the key properties of tert-butyl 7-tert-butyl-1,7-diazaspiro[3.5]nonane-1-carboxylate?
tert-butyl 7-tert-butyl-1,7-diazaspiro[3.5]nonane-1-carboxylate has a molecular weight of 282.43 g/mol, XLogP of 3.26, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 7-tert-butyl-1,7-diazaspiro[3.5]nonane-1-carboxylate is sourced from PubChem (CID 134506707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).