tert-butyl 2-(aminomethyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate

C14H26N2O3 — CID 71305748

IUPACtert-butyl 2-(aminomethyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CCC(CN)O2)CC1
InChIInChI=1S/C14H26N2O3/c1-13(2,3)19-12(17)16-8-6-14(7-9-16)5-4-11(10-15)18-14/h11H,4-10,15H2,1-3H3
InChIKeyLXUKJCKJBCDGOJ-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.89
Rot. Bonds1

About tert-butyl 2-(aminomethyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate

tert-butyl 2-(aminomethyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate (PubChem CID 71305748) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is tert-butyl 2-(aminomethyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(aminomethyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
PubChem CID71305748
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Nametert-butyl 2-(aminomethyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CCC(CN)O2)CC1
InChIInChI=1S/C14H26N2O3/c1-13(2,3)19-12(17)16-8-6-14(7-9-16)5-4-11(10-15)18-14/h11H,4-10,15H2,1-3H3
InChIKeyLXUKJCKJBCDGOJ-UHFFFAOYSA-N
XLogP1.89
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(aminomethyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate?
The IUPAC name of tert-butyl 2-(aminomethyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate (CID 71305748) is tert-butyl 2-(aminomethyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate.
What is the SMILES notation for tert-butyl 2-(aminomethyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate?
The canonical SMILES for tert-butyl 2-(aminomethyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate is CC(C)(C)OC(=O)N1CCC2(CCC(CN)O2)CC1.
What is the InChIKey of tert-butyl 2-(aminomethyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate?
The InChIKey is LXUKJCKJBCDGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-13(2,3)19-12(17)16-8-6-14(7-9-16)5-4-11(10-15)18-14/h11H,4-10,15H2,1-3H3.
What are the key properties of tert-butyl 2-(aminomethyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate?
tert-butyl 2-(aminomethyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate has a molecular weight of 270.37 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(aminomethyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 71305748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).