tert-butyl 2-(2-aminopropyl)-5-azaspiro[2.4]heptane-5-carboxylate

C14H26N2O2 — CID 84708274

IUPACtert-butyl 2-(2-aminopropyl)-5-azaspiro[2.4]heptane-5-carboxylate
SMILESCC(N)CC1CC12CCN(C(=O)OC(C)(C)C)C2
InChIInChI=1S/C14H26N2O2/c1-10(15)7-11-8-14(11)5-6-16(9-14)12(17)18-13(2,3)4/h10-11H,5-9,15H2,1-4H3
InChIKeyIYONTYXVPOQPAA-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.37
Rot. Bonds2

About tert-butyl 2-(2-aminopropyl)-5-azaspiro[2.4]heptane-5-carboxylate

tert-butyl 2-(2-aminopropyl)-5-azaspiro[2.4]heptane-5-carboxylate (PubChem CID 84708274) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is tert-butyl 2-(2-aminopropyl)-5-azaspiro[2.4]heptane-5-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(2-aminopropyl)-5-azaspiro[2.4]heptane-5-carboxylate
PubChem CID84708274
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Nametert-butyl 2-(2-aminopropyl)-5-azaspiro[2.4]heptane-5-carboxylate
SMILESCC(N)CC1CC12CCN(C(=O)OC(C)(C)C)C2
InChIInChI=1S/C14H26N2O2/c1-10(15)7-11-8-14(11)5-6-16(9-14)12(17)18-13(2,3)4/h10-11H,5-9,15H2,1-4H3
InChIKeyIYONTYXVPOQPAA-UHFFFAOYSA-N
XLogP2.37
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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

Analyze tert-butyl 2-(2-aminopropyl)-5-azaspiro[2.4]heptane-5-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-(3-oxobutyl)-5-azaspiro[2.4]heptane-5-carboxylate
CID 84711913
tert-butyl 2-(azidomethyl)-5-azaspiro[2.4]heptane-5-carboxylate
CID 172759545
tert-butyl 2-(aminomethyl)-6-azaspiro[2.5]octane-6-carboxylate;hydrochloride
CID 86280112
tert-butyl 2-amino-5-azaspiro[2.3]hexane-5-carboxylate
CID 83831540
tert-butyl 2-(bromomethyl)-6-azaspiro[2.5]octane-6-carboxylate
CID 121207544
tert-butyl (8S)-8-amino-5-azaspiro[2.5]octane-5-carboxylate
CID 86332345
tert-butyl (4S)-4-amino-2,2-difluoro-8-azaspiro[4.5]decane-8-carboxylate
CID 155904836
tert-butyl 10-amino-7-oxa-2-azaspiro[4.5]decane-2-carboxylate
CID 82380603
tert-butyl (5S,9S)-9-hydroxy-2-azaspiro[4.4]nonane-2-carboxylate
CID 124555987
tert-butyl 4-[(2S)-2-aminopropyl]piperidine-1-carboxylate
CID 129406782
tert-butyl 4-[(2R)-2-aminopropyl]piperidine-1-carboxylate
CID 129406783
tert-butyl 2-amino-6-azaspiro[3.4]octane-6-carboxylate
CID 56962195

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2-aminopropyl)-5-azaspiro[2.4]heptane-5-carboxylate?
The IUPAC name of tert-butyl 2-(2-aminopropyl)-5-azaspiro[2.4]heptane-5-carboxylate (CID 84708274) is tert-butyl 2-(2-aminopropyl)-5-azaspiro[2.4]heptane-5-carboxylate.
What is the SMILES notation for tert-butyl 2-(2-aminopropyl)-5-azaspiro[2.4]heptane-5-carboxylate?
The canonical SMILES for tert-butyl 2-(2-aminopropyl)-5-azaspiro[2.4]heptane-5-carboxylate is CC(N)CC1CC12CCN(C(=O)OC(C)(C)C)C2.
What is the InChIKey of tert-butyl 2-(2-aminopropyl)-5-azaspiro[2.4]heptane-5-carboxylate?
The InChIKey is IYONTYXVPOQPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-10(15)7-11-8-14(11)5-6-16(9-14)12(17)18-13(2,3)4/h10-11H,5-9,15H2,1-4H3.
What are the key properties of tert-butyl 2-(2-aminopropyl)-5-azaspiro[2.4]heptane-5-carboxylate?
tert-butyl 2-(2-aminopropyl)-5-azaspiro[2.4]heptane-5-carboxylate has a molecular weight of 254.37 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2-aminopropyl)-5-azaspiro[2.4]heptane-5-carboxylate is sourced from PubChem (CID 84708274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).