butyl 6-(2-aminoethyl)-2-azaspiro[3.3]heptane-2-carboxylate

C13H24N2O2 — CID 175818671

IUPACbutyl 6-(2-aminoethyl)-2-azaspiro[3.3]heptane-2-carboxylate
SMILESCCCCOC(=O)N1CC2(CC(CCN)C2)C1
InChIInChI=1S/C13H24N2O2/c1-2-3-6-17-12(16)15-9-13(10-15)7-11(8-13)4-5-14/h11H,2-10,14H2,1H3
InChIKeyFDMGXIZOFCQECC-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.98
Rot. Bonds5

About butyl 6-(2-aminoethyl)-2-azaspiro[3.3]heptane-2-carboxylate

butyl 6-(2-aminoethyl)-2-azaspiro[3.3]heptane-2-carboxylate (PubChem CID 175818671) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is butyl 6-(2-aminoethyl)-2-azaspiro[3.3]heptane-2-carboxylate.

Molecular Properties

Compound Namebutyl 6-(2-aminoethyl)-2-azaspiro[3.3]heptane-2-carboxylate
PubChem CID175818671
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Namebutyl 6-(2-aminoethyl)-2-azaspiro[3.3]heptane-2-carboxylate
SMILESCCCCOC(=O)N1CC2(CC(CCN)C2)C1
InChIInChI=1S/C13H24N2O2/c1-2-3-6-17-12(16)15-9-13(10-15)7-11(8-13)4-5-14/h11H,2-10,14H2,1H3
InChIKeyFDMGXIZOFCQECC-UHFFFAOYSA-N
XLogP1.98
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

butyl 6-acetyl-2,6-diazaspiro[3.3]heptane-2-carboxylate
CID 175978634
butyl 3-aminoazetidine-1-carboxylate
CID 68600726
butyl aziridine-1-carboxylate
CID 12641
butyl 3-(hydroxymethyl)azetidine-1-carboxylate
CID 69261484
butyl 6-phenyl-2-azaspiro[3.4]octane-2-carboxylate
CID 175842476
butyl 3-ethynylazetidine-1-carboxylate
CID 155738095
butyl 4-[(1-hydroxycyclopropyl)methyl]piperidine-1-carboxylate
CID 70848394
butyl 4-(3-iodopropyl)piperidine-1-carboxylate
CID 151178027
butyl 2-(2-aminoethyl)pyrrolidine-1-carboxylate
CID 142779221
butyl 3-propanoylazetidine-1-carboxylate
CID 150696398
butyl 4-bromopiperidine-1-carboxylate
CID 21219163
tert-butyl 2-(2-aminoethyl)-7-azaspiro[3.5]nonane-7-carboxylate
CID 155438113

Frequently Asked Questions

What is the IUPAC name of butyl 6-(2-aminoethyl)-2-azaspiro[3.3]heptane-2-carboxylate?
The IUPAC name of butyl 6-(2-aminoethyl)-2-azaspiro[3.3]heptane-2-carboxylate (CID 175818671) is butyl 6-(2-aminoethyl)-2-azaspiro[3.3]heptane-2-carboxylate.
What is the SMILES notation for butyl 6-(2-aminoethyl)-2-azaspiro[3.3]heptane-2-carboxylate?
The canonical SMILES for butyl 6-(2-aminoethyl)-2-azaspiro[3.3]heptane-2-carboxylate is CCCCOC(=O)N1CC2(CC(CCN)C2)C1.
What is the InChIKey of butyl 6-(2-aminoethyl)-2-azaspiro[3.3]heptane-2-carboxylate?
The InChIKey is FDMGXIZOFCQECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-2-3-6-17-12(16)15-9-13(10-15)7-11(8-13)4-5-14/h11H,2-10,14H2,1H3.
What are the key properties of butyl 6-(2-aminoethyl)-2-azaspiro[3.3]heptane-2-carboxylate?
butyl 6-(2-aminoethyl)-2-azaspiro[3.3]heptane-2-carboxylate has a molecular weight of 240.35 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 6-(2-aminoethyl)-2-azaspiro[3.3]heptane-2-carboxylate is sourced from PubChem (CID 175818671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).