tert-butyl 4-methyl-1,4,9-triazaspiro[5.5]undecane-1-carboxylate

C14H27N3O2 — CID 82379324

IUPACtert-butyl 4-methyl-1,4,9-triazaspiro[5.5]undecane-1-carboxylate
SMILESCN1CCN(C(=O)OC(C)(C)C)C2(CCNCC2)C1
InChIInChI=1S/C14H27N3O2/c1-13(2,3)19-12(18)17-10-9-16(4)11-14(17)5-7-15-8-6-14/h15H,5-11H2,1-4H3
InChIKeyWKNCBMRSJIEXIG-UHFFFAOYSA-N
MW269.39 g/mol
LogP1.29
Rot. Bonds

About tert-butyl 4-methyl-1,4,9-triazaspiro[5.5]undecane-1-carboxylate

tert-butyl 4-methyl-1,4,9-triazaspiro[5.5]undecane-1-carboxylate (PubChem CID 82379324) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is tert-butyl 4-methyl-1,4,9-triazaspiro[5.5]undecane-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-methyl-1,4,9-triazaspiro[5.5]undecane-1-carboxylate
PubChem CID82379324
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Nametert-butyl 4-methyl-1,4,9-triazaspiro[5.5]undecane-1-carboxylate
SMILESCN1CCN(C(=O)OC(C)(C)C)C2(CCNCC2)C1
InChIInChI=1S/C14H27N3O2/c1-13(2,3)19-12(18)17-10-9-16(4)11-14(17)5-7-15-8-6-14/h15H,5-11H2,1-4H3
InChIKeyWKNCBMRSJIEXIG-UHFFFAOYSA-N
XLogP1.29
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-methyl-1,4,9-triazaspiro[5.5]undecane-1-carboxylate?
The IUPAC name of tert-butyl 4-methyl-1,4,9-triazaspiro[5.5]undecane-1-carboxylate (CID 82379324) is tert-butyl 4-methyl-1,4,9-triazaspiro[5.5]undecane-1-carboxylate.
What is the SMILES notation for tert-butyl 4-methyl-1,4,9-triazaspiro[5.5]undecane-1-carboxylate?
The canonical SMILES for tert-butyl 4-methyl-1,4,9-triazaspiro[5.5]undecane-1-carboxylate is CN1CCN(C(=O)OC(C)(C)C)C2(CCNCC2)C1.
What is the InChIKey of tert-butyl 4-methyl-1,4,9-triazaspiro[5.5]undecane-1-carboxylate?
The InChIKey is WKNCBMRSJIEXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-13(2,3)19-12(18)17-10-9-16(4)11-14(17)5-7-15-8-6-14/h15H,5-11H2,1-4H3.
What are the key properties of tert-butyl 4-methyl-1,4,9-triazaspiro[5.5]undecane-1-carboxylate?
tert-butyl 4-methyl-1,4,9-triazaspiro[5.5]undecane-1-carboxylate has a molecular weight of 269.39 g/mol, XLogP of 1.29, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-methyl-1,4,9-triazaspiro[5.5]undecane-1-carboxylate is sourced from PubChem (CID 82379324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).