tert-butyl 5-methyl-2,7-diazaspiro[3.5]nonane-7-carboxylate

C13H24N2O2 — CID 131391492

IUPACtert-butyl 5-methyl-2,7-diazaspiro[3.5]nonane-7-carboxylate
SMILESCC1CN(C(=O)OC(C)(C)C)CCC12CNC2
InChIInChI=1S/C13H24N2O2/c1-10-7-15(11(16)17-12(2,3)4)6-5-13(10)8-14-9-13/h10,14H,5-9H2,1-4H3
InChIKeyGFUHZEZABTZUTN-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.85
Rot. Bonds

About tert-butyl 5-methyl-2,7-diazaspiro[3.5]nonane-7-carboxylate

tert-butyl 5-methyl-2,7-diazaspiro[3.5]nonane-7-carboxylate (PubChem CID 131391492) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is tert-butyl 5-methyl-2,7-diazaspiro[3.5]nonane-7-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-methyl-2,7-diazaspiro[3.5]nonane-7-carboxylate
PubChem CID131391492
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Nametert-butyl 5-methyl-2,7-diazaspiro[3.5]nonane-7-carboxylate
SMILESCC1CN(C(=O)OC(C)(C)C)CCC12CNC2
InChIInChI=1S/C13H24N2O2/c1-10-7-15(11(16)17-12(2,3)4)6-5-13(10)8-14-9-13/h10,14H,5-9H2,1-4H3
InChIKeyGFUHZEZABTZUTN-UHFFFAOYSA-N
XLogP1.85
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 9-amino-5-methyl-3-azaspiro[5.5]undecane-3-carboxylate
CID 155893864
tert-butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate;ethane
CID 176939891
tert-butyl (3S,4R)-4-hydroxy-3,4-dimethylazepane-1-carboxylate
CID 124523450
tert-butyl 4-amino-4-cyano-3-methylpiperidine-1-carboxylate
CID 130590170
tert-butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate;oxalic acid
CID 53484576
tert-butyl 5-amino-3-azaspiro[5.5]undecane-3-carboxylate
CID 76850181
tert-butyl 11-methyl-1-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate
CID 130625530
tert-butyl 1,2-dimethyl-6-azaspiro[2.5]octane-6-carboxylate
CID 58482290
tert-butyl 4-hydroxy-3,4,5-trimethylpiperidine-1-carboxylate
CID 162451549
tert-butyl (3R)-3-methylpyrrolidine-1-carboxylate
CID 59070240
tert-butyl 4-formyl-3-methyl-4-prop-2-enylpiperidine-1-carboxylate
CID 176829864
tert-butyl 4,6-dimethyl-3-oxo-8-azaspiro[4.5]dec-1-ene-8-carboxylate
CID 176829956

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-methyl-2,7-diazaspiro[3.5]nonane-7-carboxylate?
The IUPAC name of tert-butyl 5-methyl-2,7-diazaspiro[3.5]nonane-7-carboxylate (CID 131391492) is tert-butyl 5-methyl-2,7-diazaspiro[3.5]nonane-7-carboxylate.
What is the SMILES notation for tert-butyl 5-methyl-2,7-diazaspiro[3.5]nonane-7-carboxylate?
The canonical SMILES for tert-butyl 5-methyl-2,7-diazaspiro[3.5]nonane-7-carboxylate is CC1CN(C(=O)OC(C)(C)C)CCC12CNC2.
What is the InChIKey of tert-butyl 5-methyl-2,7-diazaspiro[3.5]nonane-7-carboxylate?
The InChIKey is GFUHZEZABTZUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-10-7-15(11(16)17-12(2,3)4)6-5-13(10)8-14-9-13/h10,14H,5-9H2,1-4H3.
What are the key properties of tert-butyl 5-methyl-2,7-diazaspiro[3.5]nonane-7-carboxylate?
tert-butyl 5-methyl-2,7-diazaspiro[3.5]nonane-7-carboxylate has a molecular weight of 240.35 g/mol, XLogP of 1.85, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-methyl-2,7-diazaspiro[3.5]nonane-7-carboxylate is sourced from PubChem (CID 131391492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).