tert-butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate;hydrochloride

C14H27ClN2O2 — CID 67269440

IUPACtert-butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate;hydrochloride
SMILESCC(C)(C)OC(=O)N1CCC2(CCNCC2)CC1.Cl
InChIInChI=1S/C14H26N2O2.ClH/c1-13(2,3)18-12(17)16-10-6-14(7-11-16)4-8-15-9-5-14;/h15H,4-11H2,1-3H3;1H
InChIKeySABRTFCGXPHVTA-UHFFFAOYSA-N
MW290.83 g/mol
LogP2.81
Rot. Bonds

About tert-butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate;hydrochloride

tert-butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate;hydrochloride (PubChem CID 67269440) has the molecular formula C14H27ClN2O2 and a molecular weight of 290.83 g/mol. Its IUPAC name is tert-butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate;hydrochloride.

Molecular Properties

Compound Nametert-butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate;hydrochloride
PubChem CID67269440
Molecular FormulaC14H27ClN2O2
Molecular Weight290.83 g/mol
Exact Mass290.18
IUPAC Nametert-butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate;hydrochloride
SMILESCC(C)(C)OC(=O)N1CCC2(CCNCC2)CC1.Cl
InChIInChI=1S/C14H26N2O2.ClH/c1-13(2,3)18-12(17)16-10-6-14(7-11-16)4-8-15-9-5-14;/h15H,4-11H2,1-3H3;1H
InChIKeySABRTFCGXPHVTA-UHFFFAOYSA-N
XLogP2.81
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.83
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate;hydrochloride?
The IUPAC name of tert-butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate;hydrochloride (CID 67269440) is tert-butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate;hydrochloride.
What is the SMILES notation for tert-butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate;hydrochloride?
The canonical SMILES for tert-butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate;hydrochloride is CC(C)(C)OC(=O)N1CCC2(CCNCC2)CC1.Cl.
What is the InChIKey of tert-butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate;hydrochloride?
The InChIKey is SABRTFCGXPHVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2.ClH/c1-13(2,3)18-12(17)16-10-6-14(7-11-16)4-8-15-9-5-14;/h15H,4-11H2,1-3H3;1H.
What are the key properties of tert-butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate;hydrochloride?
tert-butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate;hydrochloride has a molecular weight of 290.83 g/mol, XLogP of 2.81, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate;hydrochloride is sourced from PubChem (CID 67269440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).