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

C13H24N2O2 — CID 42614152

IUPACtert-butyl 1,9-diazaspiro[4.5]decane-9-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC2(CCCN2)C1
InChIInChI=1S/C13H24N2O2/c1-12(2,3)17-11(16)15-9-5-7-13(10-15)6-4-8-14-13/h14H,4-10H2,1-3H3
InChIKeyPDFULYHFVRJQJO-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.14
Rot. Bonds

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

tert-butyl 1,9-diazaspiro[4.5]decane-9-carboxylate (PubChem CID 42614152) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is tert-butyl 1,9-diazaspiro[4.5]decane-9-carboxylate.

Molecular Properties

Compound Nametert-butyl 1,9-diazaspiro[4.5]decane-9-carboxylate
PubChem CID42614152
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Nametert-butyl 1,9-diazaspiro[4.5]decane-9-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC2(CCCN2)C1
InChIInChI=1S/C13H24N2O2/c1-12(2,3)17-11(16)15-9-5-7-13(10-15)6-4-8-14-13/h14H,4-10H2,1-3H3
InChIKeyPDFULYHFVRJQJO-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2,6-diazaspiro[4.6]undecane-2-carboxylate
CID 82623314
tert-butyl 1,8-diazaspiro[4.5]decane-8-carboxylate
CID 25212666
tert-butyl 3-(2,2-dimethylpropyl)-1,9-diazaspiro[4.5]decane-9-carboxylate
CID 165485581
tert-butyl 9-fluoro-2,6-diazaspiro[4.5]decane-2-carboxylate
CID 115048250
2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-diazepane-2-carboxylic acid
CID 118856116
tert-butyl 1-oxo-2,8-diazaspiro[5.5]undecane-8-carboxylate
CID 45074355
tert-butyl (3S)-3-chloro-3-methylpiperidine-1-carboxylate
CID 97171665
tert-butyl (3S)-3-amino-3-methylpiperidine-1-carboxylate;ethane
CID 155737634
1-O-tert-butyl 3-O-methyl (3S)-3-methylpiperidine-1,3-dicarboxylate
CID 86307189
tert-butyl (5R)-1-oxo-2,9-diazaspiro[4.5]decane-9-carboxylate
CID 86326950
tert-butyl 1-methyl-1,9-diazaspiro[4.5]decane-9-carboxylate
CID 90236843
tert-butyl 3,3-difluoroazepane-1-carboxylate
CID 67979523

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1,9-diazaspiro[4.5]decane-9-carboxylate?
The IUPAC name of tert-butyl 1,9-diazaspiro[4.5]decane-9-carboxylate (CID 42614152) is tert-butyl 1,9-diazaspiro[4.5]decane-9-carboxylate.
What is the SMILES notation for tert-butyl 1,9-diazaspiro[4.5]decane-9-carboxylate?
The canonical SMILES for tert-butyl 1,9-diazaspiro[4.5]decane-9-carboxylate is CC(C)(C)OC(=O)N1CCCC2(CCCN2)C1.
What is the InChIKey of tert-butyl 1,9-diazaspiro[4.5]decane-9-carboxylate?
The InChIKey is PDFULYHFVRJQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-12(2,3)17-11(16)15-9-5-7-13(10-15)6-4-8-14-13/h14H,4-10H2,1-3H3.
What are the key properties of tert-butyl 1,9-diazaspiro[4.5]decane-9-carboxylate?
tert-butyl 1,9-diazaspiro[4.5]decane-9-carboxylate has a molecular weight of 240.35 g/mol, XLogP of 2.14, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1,9-diazaspiro[4.5]decane-9-carboxylate is sourced from PubChem (CID 42614152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).