tert-butyl 2-(aminomethyl)-7-azaspiro[3.5]nonane-7-carboxylate

C14H26N2O2 — CID 56962135

IUPACtert-butyl 2-(aminomethyl)-7-azaspiro[3.5]nonane-7-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)CC(CN)C2
InChIInChI=1S/C14H26N2O2/c1-13(2,3)18-12(17)16-6-4-14(5-7-16)8-11(9-14)10-15/h11H,4-10,15H2,1-3H3
InChIKeyONEXXCWDECZYMU-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.37
Rot. Bonds1

About tert-butyl 2-(aminomethyl)-7-azaspiro[3.5]nonane-7-carboxylate

tert-butyl 2-(aminomethyl)-7-azaspiro[3.5]nonane-7-carboxylate (PubChem CID 56962135) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is tert-butyl 2-(aminomethyl)-7-azaspiro[3.5]nonane-7-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(aminomethyl)-7-azaspiro[3.5]nonane-7-carboxylate
PubChem CID56962135
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Nametert-butyl 2-(aminomethyl)-7-azaspiro[3.5]nonane-7-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)CC(CN)C2
InChIInChI=1S/C14H26N2O2/c1-13(2,3)18-12(17)16-6-4-14(5-7-16)8-11(9-14)10-15/h11H,4-10,15H2,1-3H3
InChIKeyONEXXCWDECZYMU-UHFFFAOYSA-N
XLogP2.37
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-(2-aminoethyl)-7-azaspiro[3.5]nonane-7-carboxylate
CID 155438113
tert-butyl 7-(aminomethyl)-2-azaspiro[4.5]decane-2-carboxylate
CID 82379496
tert-butyl (3R)-3-(hydroxymethyl)-8-azaspiro[4.5]decane-8-carboxylate
CID 124896537
tert-butyl 2-(aminomethyl)-6-azaspiro[2.5]octane-6-carboxylate;hydrochloride
CID 86280112
tert-butyl 4-(aminomethyl)-3-oxa-9-azaspiro[5.5]undecane-9-carboxylate;hydrochloride
CID 170913864
tert-butyl 2-amino-6-azaspiro[3.4]octane-6-carboxylate
CID 56962195
tert-butyl 6-azaspiro[2.5]octane-6-carboxylate;methane
CID 177036398
tert-butyl 4,4-bis(aminomethyl)piperidine-1-carboxylate
CID 126502774
tert-butyl 7-azaspiro[3.5]nonane-7-carboxylate
CID 130609664
tert-butyl 2-(1,1-dioxo-1,4-thiazinan-4-yl)-7-azaspiro[3.5]nonane-7-carboxylate
CID 142518188
tert-butyl 4-amino-2-oxa-9-azaspiro[5.5]undecane-9-carboxylate
CID 71565256
tert-butyl 2-[(E)-but-1-enyl]-7-azaspiro[3.5]nonane-7-carboxylate
CID 167375766

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(aminomethyl)-7-azaspiro[3.5]nonane-7-carboxylate?
The IUPAC name of tert-butyl 2-(aminomethyl)-7-azaspiro[3.5]nonane-7-carboxylate (CID 56962135) is tert-butyl 2-(aminomethyl)-7-azaspiro[3.5]nonane-7-carboxylate.
What is the SMILES notation for tert-butyl 2-(aminomethyl)-7-azaspiro[3.5]nonane-7-carboxylate?
The canonical SMILES for tert-butyl 2-(aminomethyl)-7-azaspiro[3.5]nonane-7-carboxylate is CC(C)(C)OC(=O)N1CCC2(CC1)CC(CN)C2.
What is the InChIKey of tert-butyl 2-(aminomethyl)-7-azaspiro[3.5]nonane-7-carboxylate?
The InChIKey is ONEXXCWDECZYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-13(2,3)18-12(17)16-6-4-14(5-7-16)8-11(9-14)10-15/h11H,4-10,15H2,1-3H3.
What are the key properties of tert-butyl 2-(aminomethyl)-7-azaspiro[3.5]nonane-7-carboxylate?
tert-butyl 2-(aminomethyl)-7-azaspiro[3.5]nonane-7-carboxylate has a molecular weight of 254.37 g/mol, XLogP of 2.37, 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)-7-azaspiro[3.5]nonane-7-carboxylate is sourced from PubChem (CID 56962135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).