tert-butyl 3-(2,2-dimethylpropyl)-1,9-diazaspiro[4.5]decane-9-carboxylate

C18H34N2O2 — CID 165485581

IUPACtert-butyl 3-(2,2-dimethylpropyl)-1,9-diazaspiro[4.5]decane-9-carboxylate
SMILESCC(C)(C)CC1CNC2(CCCN(C(=O)OC(C)(C)C)C2)C1
InChIInChI=1S/C18H34N2O2/c1-16(2,3)10-14-11-18(19-12-14)8-7-9-20(13-18)15(21)22-17(4,5)6/h14,19H,7-13H2,1-6H3
InChIKeyGQHGIPYVCOLGKP-UHFFFAOYSA-N
MW310.48 g/mol
LogP3.80
Rot. Bonds1

About tert-butyl 3-(2,2-dimethylpropyl)-1,9-diazaspiro[4.5]decane-9-carboxylate

tert-butyl 3-(2,2-dimethylpropyl)-1,9-diazaspiro[4.5]decane-9-carboxylate (PubChem CID 165485581) has the molecular formula C18H34N2O2 and a molecular weight of 310.48 g/mol. Its IUPAC name is tert-butyl 3-(2,2-dimethylpropyl)-1,9-diazaspiro[4.5]decane-9-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(2,2-dimethylpropyl)-1,9-diazaspiro[4.5]decane-9-carboxylate
PubChem CID165485581
Molecular FormulaC18H34N2O2
Molecular Weight310.48 g/mol
Exact Mass310.26
IUPAC Nametert-butyl 3-(2,2-dimethylpropyl)-1,9-diazaspiro[4.5]decane-9-carboxylate
SMILESCC(C)(C)CC1CNC2(CCCN(C(=O)OC(C)(C)C)C2)C1
InChIInChI=1S/C18H34N2O2/c1-16(2,3)10-14-11-18(19-12-14)8-7-9-20(13-18)15(21)22-17(4,5)6/h14,19H,7-13H2,1-6H3
InChIKeyGQHGIPYVCOLGKP-UHFFFAOYSA-N
XLogP3.80
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.48
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 1,9-diazaspiro[4.5]decane-9-carboxylate
CID 42614152
tert-butyl 7-hydroxy-2,5-diazaspiro[3.4]octane-2-carboxylate
CID 155820592
tert-butyl 9-fluoro-2,6-diazaspiro[4.5]decane-2-carboxylate
CID 115048250
tert-butyl 2,6-diazaspiro[4.6]undecane-2-carboxylate
CID 82623314
tert-butyl (3S)-3-hydroxy-3-(hydroxymethyl)piperidine-1-carboxylate
CID 97172659
3-(chloromethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
CID 121003905
tert-butyl 4-hydroxy-2,7-diazaspiro[4.5]decane-7-carboxylate
CID 83488546
(3S)-3-(cyclopropylmethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
CID 97159085
tert-butyl (3S)-3-amino-3-methylpiperidine-1-carboxylate;ethane
CID 155737634
tert-butyl (3S)-3-chloro-3-methylpiperidine-1-carboxylate
CID 97171665
tert-butyl (3S)-3-amino-3-(hydroxymethyl)piperidine-1-carboxylate
CID 96892899
tert-butyl 3-amino-3-(hydroxymethyl)piperidine-1-carboxylate
CID 82662965

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(2,2-dimethylpropyl)-1,9-diazaspiro[4.5]decane-9-carboxylate?
The IUPAC name of tert-butyl 3-(2,2-dimethylpropyl)-1,9-diazaspiro[4.5]decane-9-carboxylate (CID 165485581) is tert-butyl 3-(2,2-dimethylpropyl)-1,9-diazaspiro[4.5]decane-9-carboxylate.
What is the SMILES notation for tert-butyl 3-(2,2-dimethylpropyl)-1,9-diazaspiro[4.5]decane-9-carboxylate?
The canonical SMILES for tert-butyl 3-(2,2-dimethylpropyl)-1,9-diazaspiro[4.5]decane-9-carboxylate is CC(C)(C)CC1CNC2(CCCN(C(=O)OC(C)(C)C)C2)C1.
What is the InChIKey of tert-butyl 3-(2,2-dimethylpropyl)-1,9-diazaspiro[4.5]decane-9-carboxylate?
The InChIKey is GQHGIPYVCOLGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O2/c1-16(2,3)10-14-11-18(19-12-14)8-7-9-20(13-18)15(21)22-17(4,5)6/h14,19H,7-13H2,1-6H3.
What are the key properties of tert-butyl 3-(2,2-dimethylpropyl)-1,9-diazaspiro[4.5]decane-9-carboxylate?
tert-butyl 3-(2,2-dimethylpropyl)-1,9-diazaspiro[4.5]decane-9-carboxylate has a molecular weight of 310.48 g/mol, XLogP of 3.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(2,2-dimethylpropyl)-1,9-diazaspiro[4.5]decane-9-carboxylate is sourced from PubChem (CID 165485581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).