tert-butyl 1-methyl-1,9-diazaspiro[4.5]decane-9-carboxylate

C14H26N2O2 — CID 90236843

IUPACtert-butyl 1-methyl-1,9-diazaspiro[4.5]decane-9-carboxylate
SMILESCN1CCCC12CCCN(C(=O)OC(C)(C)C)C2
InChIInChI=1S/C14H26N2O2/c1-13(2,3)18-12(17)16-10-6-8-14(11-16)7-5-9-15(14)4/h5-11H2,1-4H3
InChIKeyGHQBCFZQHMZPED-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.48
Rot. Bonds

About tert-butyl 1-methyl-1,9-diazaspiro[4.5]decane-9-carboxylate

tert-butyl 1-methyl-1,9-diazaspiro[4.5]decane-9-carboxylate (PubChem CID 90236843) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is tert-butyl 1-methyl-1,9-diazaspiro[4.5]decane-9-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-methyl-1,9-diazaspiro[4.5]decane-9-carboxylate
PubChem CID90236843
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Nametert-butyl 1-methyl-1,9-diazaspiro[4.5]decane-9-carboxylate
SMILESCN1CCCC12CCCN(C(=O)OC(C)(C)C)C2
InChIInChI=1S/C14H26N2O2/c1-13(2,3)18-12(17)16-10-6-8-14(11-16)7-5-9-15(14)4/h5-11H2,1-4H3
InChIKeyGHQBCFZQHMZPED-UHFFFAOYSA-N
XLogP2.48
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 6-methyl-2,6-diazaspiro[4.5]decane-2-carboxylate
CID 167717811
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CID 123836479
tert-butyl (3S)-3-hydroxy-3-(hydroxymethyl)piperidine-1-carboxylate
CID 97172659
tert-butyl (6R)-1-(2,2,2-trifluoroacetyl)-1,8-diazaspiro[5.5]undecane-8-carboxylate
CID 97305293
tert-butyl (3S)-3-chloro-3-methylpiperidine-1-carboxylate
CID 97171665
tert-butyl (3S)-3-amino-3-methylpiperidine-1-carboxylate;ethane
CID 155737634
tert-butyl 5-(2,2-dimethylpropanoyl)-5,8-diazaspiro[3.5]nonane-8-carboxylate
CID 126750138
tert-butyl 3,3-difluoroazepane-1-carboxylate
CID 67979523
(3S)-3-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
CID 26601059
tert-butyl 3-fluoro-3-(fluoromethyl)pyrrolidine-1-carboxylate
CID 171704383
3-(2-hydroxypropan-2-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
CID 77134570
tert-butyl (3S)-3-amino-3-(hydroxymethyl)piperidine-1-carboxylate
CID 96892899

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-methyl-1,9-diazaspiro[4.5]decane-9-carboxylate?
The IUPAC name of tert-butyl 1-methyl-1,9-diazaspiro[4.5]decane-9-carboxylate (CID 90236843) is tert-butyl 1-methyl-1,9-diazaspiro[4.5]decane-9-carboxylate.
What is the SMILES notation for tert-butyl 1-methyl-1,9-diazaspiro[4.5]decane-9-carboxylate?
The canonical SMILES for tert-butyl 1-methyl-1,9-diazaspiro[4.5]decane-9-carboxylate is CN1CCCC12CCCN(C(=O)OC(C)(C)C)C2.
What is the InChIKey of tert-butyl 1-methyl-1,9-diazaspiro[4.5]decane-9-carboxylate?
The InChIKey is GHQBCFZQHMZPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-13(2,3)18-12(17)16-10-6-8-14(11-16)7-5-9-15(14)4/h5-11H2,1-4H3.
What are the key properties of tert-butyl 1-methyl-1,9-diazaspiro[4.5]decane-9-carboxylate?
tert-butyl 1-methyl-1,9-diazaspiro[4.5]decane-9-carboxylate has a molecular weight of 254.37 g/mol, XLogP of 2.48, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-methyl-1,9-diazaspiro[4.5]decane-9-carboxylate is sourced from PubChem (CID 90236843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).