tert-butyl 2-(aminomethyl)-6-azaspiro[2.5]octane-6-carboxylate;hydrochloride

C13H25ClN2O2 — CID 86280112

IUPACtert-butyl 2-(aminomethyl)-6-azaspiro[2.5]octane-6-carboxylate;hydrochloride
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)CC2CN.Cl
InChIInChI=1S/C13H24N2O2.ClH/c1-12(2,3)17-11(16)15-6-4-13(5-7-15)8-10(13)9-14;/h10H,4-9,14H2,1-3H3;1H
InChIKeyFSJXIJBRVLIWDE-UHFFFAOYSA-N
MW276.81 g/mol
LogP2.40
Rot. Bonds1

About tert-butyl 2-(aminomethyl)-6-azaspiro[2.5]octane-6-carboxylate;hydrochloride

tert-butyl 2-(aminomethyl)-6-azaspiro[2.5]octane-6-carboxylate;hydrochloride (PubChem CID 86280112) has the molecular formula C13H25ClN2O2 and a molecular weight of 276.81 g/mol. Its IUPAC name is tert-butyl 2-(aminomethyl)-6-azaspiro[2.5]octane-6-carboxylate;hydrochloride.

Molecular Properties

Compound Nametert-butyl 2-(aminomethyl)-6-azaspiro[2.5]octane-6-carboxylate;hydrochloride
PubChem CID86280112
Molecular FormulaC13H25ClN2O2
Molecular Weight276.81 g/mol
Exact Mass276.16
IUPAC Nametert-butyl 2-(aminomethyl)-6-azaspiro[2.5]octane-6-carboxylate;hydrochloride
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)CC2CN.Cl
InChIInChI=1S/C13H24N2O2.ClH/c1-12(2,3)17-11(16)15-6-4-13(5-7-15)8-10(13)9-14;/h10H,4-9,14H2,1-3H3;1H
InChIKeyFSJXIJBRVLIWDE-UHFFFAOYSA-N
XLogP2.40
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.81
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-(bromomethyl)-6-azaspiro[2.5]octane-6-carboxylate
CID 121207544
methyl 2-(aminomethyl)-6-azaspiro[2.5]octane-6-carboxylate
CID 84668362
tert-butyl 2-butyl-6-azaspiro[2.5]octane-6-carboxylate
CID 150980287
tert-butyl (4S)-4-amino-2,2-difluoro-8-azaspiro[4.5]decane-8-carboxylate
CID 155904836
tert-butyl 2-(aminomethyl)-7-azaspiro[3.5]nonane-7-carboxylate
CID 56962135
tert-butyl 4,4-bis(aminomethyl)piperidine-1-carboxylate
CID 126502774
tert-butyl 2-(2-aminopropyl)-5-azaspiro[2.4]heptane-5-carboxylate
CID 84708274
tert-butyl 5-amino-3-azaspiro[5.5]undecane-3-carboxylate
CID 76850181
tert-butyl 4-(aminomethyl)-3-oxa-9-azaspiro[5.5]undecane-9-carboxylate;hydrochloride
CID 170913864
tert-butyl 4-(aminomethyl)-4-(hydroxymethyl)piperidine-1-carboxylate;hydrochloride
CID 146082065
tert-butyl 2-amino-5-azaspiro[2.3]hexane-5-carboxylate
CID 83831540
tert-butyl 2-(2-aminoethyl)-7-azaspiro[3.5]nonane-7-carboxylate
CID 155438113

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(aminomethyl)-6-azaspiro[2.5]octane-6-carboxylate;hydrochloride?
The IUPAC name of tert-butyl 2-(aminomethyl)-6-azaspiro[2.5]octane-6-carboxylate;hydrochloride (CID 86280112) is tert-butyl 2-(aminomethyl)-6-azaspiro[2.5]octane-6-carboxylate;hydrochloride.
What is the SMILES notation for tert-butyl 2-(aminomethyl)-6-azaspiro[2.5]octane-6-carboxylate;hydrochloride?
The canonical SMILES for tert-butyl 2-(aminomethyl)-6-azaspiro[2.5]octane-6-carboxylate;hydrochloride is CC(C)(C)OC(=O)N1CCC2(CC1)CC2CN.Cl.
What is the InChIKey of tert-butyl 2-(aminomethyl)-6-azaspiro[2.5]octane-6-carboxylate;hydrochloride?
The InChIKey is FSJXIJBRVLIWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2.ClH/c1-12(2,3)17-11(16)15-6-4-13(5-7-15)8-10(13)9-14;/h10H,4-9,14H2,1-3H3;1H.
What are the key properties of tert-butyl 2-(aminomethyl)-6-azaspiro[2.5]octane-6-carboxylate;hydrochloride?
tert-butyl 2-(aminomethyl)-6-azaspiro[2.5]octane-6-carboxylate;hydrochloride has a molecular weight of 276.81 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(aminomethyl)-6-azaspiro[2.5]octane-6-carboxylate;hydrochloride is sourced from PubChem (CID 86280112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).