tert-butyl 9-amino-4,4-dimethyl-3-azaspiro[5.5]undecane-3-carboxylate

C17H32N2O2 — CID 155895421

IUPACtert-butyl 9-amino-4,4-dimethyl-3-azaspiro[5.5]undecane-3-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CCC(N)CC2)CC1(C)C
InChIInChI=1S/C17H32N2O2/c1-15(2,3)21-14(20)19-11-10-17(12-16(19,4)5)8-6-13(18)7-9-17/h13H,6-12,18H2,1-5H3
InChIKeyZCYVIXMZJDWAHL-UHFFFAOYSA-N
MW296.45 g/mol
LogP3.68
Rot. Bonds

About tert-butyl 9-amino-4,4-dimethyl-3-azaspiro[5.5]undecane-3-carboxylate

tert-butyl 9-amino-4,4-dimethyl-3-azaspiro[5.5]undecane-3-carboxylate (PubChem CID 155895421) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is tert-butyl 9-amino-4,4-dimethyl-3-azaspiro[5.5]undecane-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 9-amino-4,4-dimethyl-3-azaspiro[5.5]undecane-3-carboxylate
PubChem CID155895421
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Nametert-butyl 9-amino-4,4-dimethyl-3-azaspiro[5.5]undecane-3-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CCC(N)CC2)CC1(C)C
InChIInChI=1S/C17H32N2O2/c1-15(2,3)21-14(20)19-11-10-17(12-16(19,4)5)8-6-13(18)7-9-17/h13H,6-12,18H2,1-5H3
InChIKeyZCYVIXMZJDWAHL-UHFFFAOYSA-N
XLogP3.68
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl 9-amino-4,4-dimethyl-3-azaspiro[5.5]undecane-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 8-amino-2-azaspiro[4.5]decane-2-carboxylate
CID 71630735
tert-butyl 6-amino-1-azaspiro[3.4]octane-1-carboxylate
CID 138112241
4-hydroxy-2,2-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 155893424
tert-butyl 6-amino-1-azaspiro[3.3]heptane-1-carboxylate
CID 56962197
4-methoxy-2,2-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 155893247
tert-butyl (7S)-7-amino-4-azaspiro[2.5]octane-4-carboxylate
CID 171991625
tert-butyl 3-hydroxy-7,7-dimethyl-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 164648021
tert-butyl (4S)-4-(2-aminoethyl)-2,2-dimethylpyrrolidine-1-carboxylate
CID 139416435
tert-butyl 2-amino-6-azaspiro[3.4]octane-6-carboxylate
CID 56962195
tert-butyl 6-(aminomethyl)-1-azaspiro[3.5]nonane-1-carboxylate
CID 155892408
tert-butyl (3R)-3-(hydroxymethyl)-8-azaspiro[4.5]decane-8-carboxylate
CID 124896537
tert-butyl 9-amino-5-methyl-3-azaspiro[5.5]undecane-3-carboxylate
CID 155893864

Frequently Asked Questions

What is the IUPAC name of tert-butyl 9-amino-4,4-dimethyl-3-azaspiro[5.5]undecane-3-carboxylate?
The IUPAC name of tert-butyl 9-amino-4,4-dimethyl-3-azaspiro[5.5]undecane-3-carboxylate (CID 155895421) is tert-butyl 9-amino-4,4-dimethyl-3-azaspiro[5.5]undecane-3-carboxylate.
What is the SMILES notation for tert-butyl 9-amino-4,4-dimethyl-3-azaspiro[5.5]undecane-3-carboxylate?
The canonical SMILES for tert-butyl 9-amino-4,4-dimethyl-3-azaspiro[5.5]undecane-3-carboxylate is CC(C)(C)OC(=O)N1CCC2(CCC(N)CC2)CC1(C)C.
What is the InChIKey of tert-butyl 9-amino-4,4-dimethyl-3-azaspiro[5.5]undecane-3-carboxylate?
The InChIKey is ZCYVIXMZJDWAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-15(2,3)21-14(20)19-11-10-17(12-16(19,4)5)8-6-13(18)7-9-17/h13H,6-12,18H2,1-5H3.
What are the key properties of tert-butyl 9-amino-4,4-dimethyl-3-azaspiro[5.5]undecane-3-carboxylate?
tert-butyl 9-amino-4,4-dimethyl-3-azaspiro[5.5]undecane-3-carboxylate has a molecular weight of 296.45 g/mol, XLogP of 3.68, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 9-amino-4,4-dimethyl-3-azaspiro[5.5]undecane-3-carboxylate is sourced from PubChem (CID 155895421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).