tert-butyl 1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxylate

C12H21N3O2 — CID 22975783

IUPACtert-butyl 1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)CN=CN2
InChIInChI=1S/C12H21N3O2/c1-11(2,3)17-10(16)15-6-4-12(5-7-15)8-13-9-14-12/h9H,4-8H2,1-3H3,(H,13,14)
InChIKeyIZRXGDPOIAMAEU-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.39
Rot. Bonds

About tert-butyl 1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxylate

tert-butyl 1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxylate (PubChem CID 22975783) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is tert-butyl 1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxylate.

Molecular Properties

Compound Nametert-butyl 1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxylate
PubChem CID22975783
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Nametert-butyl 1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)CN=CN2
InChIInChI=1S/C12H21N3O2/c1-11(2,3)17-10(16)15-6-4-12(5-7-15)8-13-9-14-12/h9H,4-8H2,1-3H3,(H,13,14)
InChIKeyIZRXGDPOIAMAEU-UHFFFAOYSA-N
XLogP1.39
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Tert-butyl 2-(aminomethyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate
CID 57908096
Tert-butyl 4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate
CID 67440963
tert-butyl N-[2-[1-(4,5-dihydro-1H-imidazol-2-yl)piperidin-4-yl]ethyl]carbamate
CID 69153712
tert-butyl N-[1-(4,5-dihydro-1H-imidazol-2-yl)piperidin-4-yl]carbamate
CID 91603867
Tert-butyl 4-(aminomethyl)-4-(methylamino)piperidine-1-carboxylate
CID 105504551
tert-butyl (3R)-3-[(N'-methylcarbamimidoyl)amino]piperidine-1-carboxylate
CID 143567383
Tert-butyl 4-amino-4-[(methylideneamino)methyl]piperidine-1-carboxylate
CID 144082600
1,3,8-Triazaspiro[4.5]dec-2-ene-8-carboxylic acid
CID 154466886
tert-butyl (3S)-3-[[amino-(propan-2-ylamino)methylidene]amino]piperidine-1-carboxylate
CID 166706177
tert-butyl (3S)-3-[(N'-methylcarbamimidoyl)amino]piperidine-1-carboxylate
CID 166880593
Tert-butyl 4-(ethyliminomethylamino)-2-methylpiperidine-1-carboxylate
CID 169694052
tert-butyl N-[1-[1-(aminomethylideneamino)ethyl]-4-methylpiperidin-4-yl]carbamate
CID 173905875

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxylate?
The IUPAC name of tert-butyl 1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxylate (CID 22975783) is tert-butyl 1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxylate.
What is the SMILES notation for tert-butyl 1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxylate?
The canonical SMILES for tert-butyl 1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxylate is CC(C)(C)OC(=O)N1CCC2(CC1)CN=CN2.
What is the InChIKey of tert-butyl 1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxylate?
The InChIKey is IZRXGDPOIAMAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-11(2,3)17-10(16)15-6-4-12(5-7-15)8-13-9-14-12/h9H,4-8H2,1-3H3,(H,13,14).
What are the key properties of tert-butyl 1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxylate?
tert-butyl 1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxylate has a molecular weight of 239.32 g/mol, XLogP of 1.39, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxylate is sourced from PubChem (CID 22975783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).