tert-butyl 6-(but-3-enylamino)-2-azaspiro[3.3]heptane-2-carboxylate

C15H26N2O2 — CID 177113138

IUPACtert-butyl 6-(but-3-enylamino)-2-azaspiro[3.3]heptane-2-carboxylate
SMILESC=CCCNC1CC2(C1)CN(C(=O)OC(C)(C)C)C2
InChIInChI=1S/C15H26N2O2/c1-5-6-7-16-12-8-15(9-12)10-17(11-15)13(18)19-14(2,3)4/h5,12,16H,1,6-11H2,2-4H3
InChIKeyIIWMAQKISTVHFS-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.55
Rot. Bonds4

About tert-butyl 6-(but-3-enylamino)-2-azaspiro[3.3]heptane-2-carboxylate

tert-butyl 6-(but-3-enylamino)-2-azaspiro[3.3]heptane-2-carboxylate (PubChem CID 177113138) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is tert-butyl 6-(but-3-enylamino)-2-azaspiro[3.3]heptane-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-(but-3-enylamino)-2-azaspiro[3.3]heptane-2-carboxylate
PubChem CID177113138
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Nametert-butyl 6-(but-3-enylamino)-2-azaspiro[3.3]heptane-2-carboxylate
SMILESC=CCCNC1CC2(C1)CN(C(=O)OC(C)(C)C)C2
InChIInChI=1S/C15H26N2O2/c1-5-6-7-16-12-8-15(9-12)10-17(11-15)13(18)19-14(2,3)4/h5,12,16H,1,6-11H2,2-4H3
InChIKeyIIWMAQKISTVHFS-UHFFFAOYSA-N
XLogP2.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 6-(2-methylhydrazinyl)-2-azaspiro[3.3]heptane-2-carboxylate
CID 156512590
bis(tert-butyl 6-(methylamino)-2-azaspiro[3.3]heptane-2-carboxylate);oxalic acid
CID 164886537
tert-butyl 6-[[4-(trifluoromethyl)cyclohexyl]methylamino]-2-azaspiro[3.3]heptane-2-carboxylate
CID 163275618
tert-butyl 6-formyl-2-azaspiro[3.3]heptane-2-carboxylate
CID 146470104
tert-butyl 6-[(E)-hydroxyiminomethyl]-2-azaspiro[3.3]heptane-2-carboxylate
CID 170578230
tert-butyl 6-oxo-7-prop-2-enyl-2-azaspiro[3.4]octane-2-carboxylate
CID 146276977
3-but-3-enyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid
CID 155822655
6-O-tert-butyl 2-O-prop-2-enyl 7-hydroxy-2,6-diazaspiro[3.4]octane-2,6-dicarboxylate
CID 169199515
tert-butyl 6-[ethyl-(methylideneamino)amino]-2-azaspiro[3.3]heptane-2-carboxylate
CID 156792254
tert-butyl 6-methyl-2,6-diazaspiro[3.3]heptane-2-carboxylate;ethane
CID 144686266
tert-butyl 3-(3-aminopropylamino)azetidine-1-carboxylate
CID 63303270
tert-butyl N-[2-(2-chloroacetyl)-2-azaspiro[3.3]heptan-6-yl]carbamate
CID 175906696

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-(but-3-enylamino)-2-azaspiro[3.3]heptane-2-carboxylate?
The IUPAC name of tert-butyl 6-(but-3-enylamino)-2-azaspiro[3.3]heptane-2-carboxylate (CID 177113138) is tert-butyl 6-(but-3-enylamino)-2-azaspiro[3.3]heptane-2-carboxylate.
What is the SMILES notation for tert-butyl 6-(but-3-enylamino)-2-azaspiro[3.3]heptane-2-carboxylate?
The canonical SMILES for tert-butyl 6-(but-3-enylamino)-2-azaspiro[3.3]heptane-2-carboxylate is C=CCCNC1CC2(C1)CN(C(=O)OC(C)(C)C)C2.
What is the InChIKey of tert-butyl 6-(but-3-enylamino)-2-azaspiro[3.3]heptane-2-carboxylate?
The InChIKey is IIWMAQKISTVHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-5-6-7-16-12-8-15(9-12)10-17(11-15)13(18)19-14(2,3)4/h5,12,16H,1,6-11H2,2-4H3.
What are the key properties of tert-butyl 6-(but-3-enylamino)-2-azaspiro[3.3]heptane-2-carboxylate?
tert-butyl 6-(but-3-enylamino)-2-azaspiro[3.3]heptane-2-carboxylate has a molecular weight of 266.38 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-(but-3-enylamino)-2-azaspiro[3.3]heptane-2-carboxylate is sourced from PubChem (CID 177113138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).