tert-butyl 8-(aminomethyl)-2-azaspiro[4.5]decane-2-carboxylate

C15H28N2O2 — CID 71630732

IUPACtert-butyl 8-(aminomethyl)-2-azaspiro[4.5]decane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CCC(CN)CC2)C1
InChIInChI=1S/C15H28N2O2/c1-14(2,3)19-13(18)17-9-8-15(11-17)6-4-12(10-16)5-7-15/h12H,4-11,16H2,1-3H3
InChIKeyQGOAVXOTAAWYTL-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.76
Rot. Bonds1

About tert-butyl 8-(aminomethyl)-2-azaspiro[4.5]decane-2-carboxylate

tert-butyl 8-(aminomethyl)-2-azaspiro[4.5]decane-2-carboxylate (PubChem CID 71630732) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is tert-butyl 8-(aminomethyl)-2-azaspiro[4.5]decane-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 8-(aminomethyl)-2-azaspiro[4.5]decane-2-carboxylate
PubChem CID71630732
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Nametert-butyl 8-(aminomethyl)-2-azaspiro[4.5]decane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CCC(CN)CC2)C1
InChIInChI=1S/C15H28N2O2/c1-14(2,3)19-13(18)17-9-8-15(11-17)6-4-12(10-16)5-7-15/h12H,4-11,16H2,1-3H3
InChIKeyQGOAVXOTAAWYTL-UHFFFAOYSA-N
XLogP2.76
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 8-(aminomethyl)-2-azaspiro[4.5]decane-2-carboxylate?
The IUPAC name of tert-butyl 8-(aminomethyl)-2-azaspiro[4.5]decane-2-carboxylate (CID 71630732) is tert-butyl 8-(aminomethyl)-2-azaspiro[4.5]decane-2-carboxylate.
What is the SMILES notation for tert-butyl 8-(aminomethyl)-2-azaspiro[4.5]decane-2-carboxylate?
The canonical SMILES for tert-butyl 8-(aminomethyl)-2-azaspiro[4.5]decane-2-carboxylate is CC(C)(C)OC(=O)N1CCC2(CCC(CN)CC2)C1.
What is the InChIKey of tert-butyl 8-(aminomethyl)-2-azaspiro[4.5]decane-2-carboxylate?
The InChIKey is QGOAVXOTAAWYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-14(2,3)19-13(18)17-9-8-15(11-17)6-4-12(10-16)5-7-15/h12H,4-11,16H2,1-3H3.
What are the key properties of tert-butyl 8-(aminomethyl)-2-azaspiro[4.5]decane-2-carboxylate?
tert-butyl 8-(aminomethyl)-2-azaspiro[4.5]decane-2-carboxylate has a molecular weight of 268.40 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 8-(aminomethyl)-2-azaspiro[4.5]decane-2-carboxylate is sourced from PubChem (CID 71630732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).