tert-butyl 7-methyl-2,7-diazaspiro[4.4]nonane-2-carboxylate

C13H24N2O2 — CID 118994126

IUPACtert-butyl 7-methyl-2,7-diazaspiro[4.4]nonane-2-carboxylate
SMILESCN1CCC2(CCN(C(=O)OC(C)(C)C)C2)C1
InChIInChI=1S/C13H24N2O2/c1-12(2,3)17-11(16)15-8-6-13(10-15)5-7-14(4)9-13/h5-10H2,1-4H3
InChIKeyWEHOHRVKNXQJLJ-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.95
Rot. Bonds

About tert-butyl 7-methyl-2,7-diazaspiro[4.4]nonane-2-carboxylate

tert-butyl 7-methyl-2,7-diazaspiro[4.4]nonane-2-carboxylate (PubChem CID 118994126) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is tert-butyl 7-methyl-2,7-diazaspiro[4.4]nonane-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 7-methyl-2,7-diazaspiro[4.4]nonane-2-carboxylate
PubChem CID118994126
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Nametert-butyl 7-methyl-2,7-diazaspiro[4.4]nonane-2-carboxylate
SMILESCN1CCC2(CCN(C(=O)OC(C)(C)C)C2)C1
InChIInChI=1S/C13H24N2O2/c1-12(2,3)17-11(16)15-8-6-13(10-15)5-7-14(4)9-13/h5-10H2,1-4H3
InChIKeyWEHOHRVKNXQJLJ-UHFFFAOYSA-N
XLogP1.95
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl 7-methyl-2,7-diazaspiro[4.4]nonane-2-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 2-acetyl-2,7-diazaspiro[3.5]nonane-7-carboxylate;ethane
CID 176939645
tert-butyl 6-methyl-2,6-diazaspiro[3.3]heptane-2-carboxylate;ethane
CID 144686266
tert-butyl 2-methyl-6-azaspiro[3.4]octane-6-carboxylate
CID 144719040
tert-butyl 7-cyclopropyl-2,7-diazaspiro[4.4]nonane-2-carboxylate
CID 90426746
tert-butyl (5S)-7-but-2-ynoyl-2,7-diazaspiro[4.4]nonane-2-carboxylate
CID 178118729
2-[(2-methylpropan-2-yl)oxycarbonyl]-2,7-diazaspiro[3.4]octane-7-carboxylic acid
CID 123916808
tert-butyl 2-amino-6-azaspiro[3.4]octane-6-carboxylate
CID 56962195
2,2-dimethyl-1-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)propan-1-one
CID 126750297
tert-butyl 6-azaspiro[2.5]octane-6-carboxylate;methane
CID 177036398
tert-butyl 8-amino-2-azaspiro[4.5]decane-2-carboxylate
CID 71630735
tert-butyl 2-ethyl-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 145230287
tert-butyl 3,3-difluoropyrrolidine-1-carboxylate
CID 18542424

Frequently Asked Questions

What is the IUPAC name of tert-butyl 7-methyl-2,7-diazaspiro[4.4]nonane-2-carboxylate?
The IUPAC name of tert-butyl 7-methyl-2,7-diazaspiro[4.4]nonane-2-carboxylate (CID 118994126) is tert-butyl 7-methyl-2,7-diazaspiro[4.4]nonane-2-carboxylate.
What is the SMILES notation for tert-butyl 7-methyl-2,7-diazaspiro[4.4]nonane-2-carboxylate?
The canonical SMILES for tert-butyl 7-methyl-2,7-diazaspiro[4.4]nonane-2-carboxylate is CN1CCC2(CCN(C(=O)OC(C)(C)C)C2)C1.
What is the InChIKey of tert-butyl 7-methyl-2,7-diazaspiro[4.4]nonane-2-carboxylate?
The InChIKey is WEHOHRVKNXQJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-12(2,3)17-11(16)15-8-6-13(10-15)5-7-14(4)9-13/h5-10H2,1-4H3.
What are the key properties of tert-butyl 7-methyl-2,7-diazaspiro[4.4]nonane-2-carboxylate?
tert-butyl 7-methyl-2,7-diazaspiro[4.4]nonane-2-carboxylate has a molecular weight of 240.35 g/mol, XLogP of 1.95, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 7-methyl-2,7-diazaspiro[4.4]nonane-2-carboxylate is sourced from PubChem (CID 118994126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).