tert-butyl 2-ethyl-2,7-diazaspiro[3.5]nonane-7-carboxylate

C14H26N2O2 — CID 145230287

IUPACtert-butyl 2-ethyl-2,7-diazaspiro[3.5]nonane-7-carboxylate
SMILESCCN1CC2(CCN(C(=O)OC(C)(C)C)CC2)C1
InChIInChI=1S/C14H26N2O2/c1-5-15-10-14(11-15)6-8-16(9-7-14)12(17)18-13(2,3)4/h5-11H2,1-4H3
InChIKeyNCBJSGINKCCLRW-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.34
Rot. Bonds1

About tert-butyl 2-ethyl-2,7-diazaspiro[3.5]nonane-7-carboxylate

tert-butyl 2-ethyl-2,7-diazaspiro[3.5]nonane-7-carboxylate (PubChem CID 145230287) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is tert-butyl 2-ethyl-2,7-diazaspiro[3.5]nonane-7-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-ethyl-2,7-diazaspiro[3.5]nonane-7-carboxylate
PubChem CID145230287
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Nametert-butyl 2-ethyl-2,7-diazaspiro[3.5]nonane-7-carboxylate
SMILESCCN1CC2(CCN(C(=O)OC(C)(C)C)CC2)C1
InChIInChI=1S/C14H26N2O2/c1-5-15-10-14(11-15)6-8-16(9-7-14)12(17)18-13(2,3)4/h5-11H2,1-4H3
InChIKeyNCBJSGINKCCLRW-UHFFFAOYSA-N
XLogP2.34
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl 2-ethyl-2,7-diazaspiro[3.5]nonane-7-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-azaspiro[2.5]octane-6-carboxylate;methane
CID 177036398
tert-butyl 4-ethylpiperazine-1-carboxylate
CID 21224793
tert-butyl 7-azaspiro[3.5]nonane-7-carboxylate
CID 130609664
tert-butyl 7-methyl-2,7-diazaspiro[4.4]nonane-2-carboxylate
CID 118994126
tert-butyl 3-carbonochloridoyl-3,9-diazaspiro[5.5]undecane-9-carboxylate
CID 142473443
tert-butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate;ethane
CID 176939891
tert-butyl 2-benzyl-2,8-diazaspiro[3.6]decane-8-carboxylate
CID 139877676
tert-butyl 2-[2-(4-bromophenyl)ethyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 176549771
2-[(2-methylpropan-2-yl)oxycarbonyl]-2,7-diazaspiro[3.4]octane-7-carboxylic acid
CID 123916808
tert-butyl 2,2-dioxo-2λ6-thia-7-azaspiro[3.5]nonane-7-carboxylate
CID 146310147
tert-butyl 9-hydroxy-9-methyl-3-azaspiro[5.5]undecane-3-carboxylate
CID 155893365

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-ethyl-2,7-diazaspiro[3.5]nonane-7-carboxylate?
The IUPAC name of tert-butyl 2-ethyl-2,7-diazaspiro[3.5]nonane-7-carboxylate (CID 145230287) is tert-butyl 2-ethyl-2,7-diazaspiro[3.5]nonane-7-carboxylate.
What is the SMILES notation for tert-butyl 2-ethyl-2,7-diazaspiro[3.5]nonane-7-carboxylate?
The canonical SMILES for tert-butyl 2-ethyl-2,7-diazaspiro[3.5]nonane-7-carboxylate is CCN1CC2(CCN(C(=O)OC(C)(C)C)CC2)C1.
What is the InChIKey of tert-butyl 2-ethyl-2,7-diazaspiro[3.5]nonane-7-carboxylate?
The InChIKey is NCBJSGINKCCLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-5-15-10-14(11-15)6-8-16(9-7-14)12(17)18-13(2,3)4/h5-11H2,1-4H3.
What are the key properties of tert-butyl 2-ethyl-2,7-diazaspiro[3.5]nonane-7-carboxylate?
tert-butyl 2-ethyl-2,7-diazaspiro[3.5]nonane-7-carboxylate has a molecular weight of 254.37 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-ethyl-2,7-diazaspiro[3.5]nonane-7-carboxylate is sourced from PubChem (CID 145230287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).