tert-butyl 3-methyl-2,8-diazaspiro[4.5]decane-2-carboxylate

C14H26N2O2 — CID 83851338

IUPACtert-butyl 3-methyl-2,8-diazaspiro[4.5]decane-2-carboxylate
SMILESCC1CC2(CCNCC2)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C14H26N2O2/c1-11-9-14(5-7-15-8-6-14)10-16(11)12(17)18-13(2,3)4/h11,15H,5-10H2,1-4H3
InChIKeyLBHJRRUOAQUCLH-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.39
Rot. Bonds

About tert-butyl 3-methyl-2,8-diazaspiro[4.5]decane-2-carboxylate

tert-butyl 3-methyl-2,8-diazaspiro[4.5]decane-2-carboxylate (PubChem CID 83851338) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is tert-butyl 3-methyl-2,8-diazaspiro[4.5]decane-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-methyl-2,8-diazaspiro[4.5]decane-2-carboxylate
PubChem CID83851338
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Nametert-butyl 3-methyl-2,8-diazaspiro[4.5]decane-2-carboxylate
SMILESCC1CC2(CCNCC2)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C14H26N2O2/c1-11-9-14(5-7-15-8-6-14)10-16(11)12(17)18-13(2,3)4/h11,15H,5-10H2,1-4H3
InChIKeyLBHJRRUOAQUCLH-UHFFFAOYSA-N
XLogP2.39
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-methyl-2,8-diazaspiro[4.5]decane-2-carboxylate?
The IUPAC name of tert-butyl 3-methyl-2,8-diazaspiro[4.5]decane-2-carboxylate (CID 83851338) is tert-butyl 3-methyl-2,8-diazaspiro[4.5]decane-2-carboxylate.
What is the SMILES notation for tert-butyl 3-methyl-2,8-diazaspiro[4.5]decane-2-carboxylate?
The canonical SMILES for tert-butyl 3-methyl-2,8-diazaspiro[4.5]decane-2-carboxylate is CC1CC2(CCNCC2)CN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 3-methyl-2,8-diazaspiro[4.5]decane-2-carboxylate?
The InChIKey is LBHJRRUOAQUCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-11-9-14(5-7-15-8-6-14)10-16(11)12(17)18-13(2,3)4/h11,15H,5-10H2,1-4H3.
What are the key properties of tert-butyl 3-methyl-2,8-diazaspiro[4.5]decane-2-carboxylate?
tert-butyl 3-methyl-2,8-diazaspiro[4.5]decane-2-carboxylate has a molecular weight of 254.37 g/mol, XLogP of 2.39, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-methyl-2,8-diazaspiro[4.5]decane-2-carboxylate is sourced from PubChem (CID 83851338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).