ditert-butyl 4-formyl-2,8-diazaspiro[4.5]decane-2,8-dicarboxylate

C19H32N2O5 — CID 135028914

IUPACditert-butyl 4-formyl-2,8-diazaspiro[4.5]decane-2,8-dicarboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)CN(C(=O)OC(C)(C)C)CC2C=O
InChIInChI=1S/C19H32N2O5/c1-17(2,3)25-15(23)20-9-7-19(8-10-20)13-21(11-14(19)12-22)16(24)26-18(4,5)6/h12,14H,7-11,13H2,1-6H3
InChIKeyNVVIFNLOXQVINN-UHFFFAOYSA-N
MW368.47 g/mol
LogP3.07
Rot. Bonds1

About ditert-butyl 4-formyl-2,8-diazaspiro[4.5]decane-2,8-dicarboxylate

ditert-butyl 4-formyl-2,8-diazaspiro[4.5]decane-2,8-dicarboxylate (PubChem CID 135028914) has the molecular formula C19H32N2O5 and a molecular weight of 368.47 g/mol. Its IUPAC name is ditert-butyl 4-formyl-2,8-diazaspiro[4.5]decane-2,8-dicarboxylate.

Molecular Properties

Compound Nameditert-butyl 4-formyl-2,8-diazaspiro[4.5]decane-2,8-dicarboxylate
PubChem CID135028914
Molecular FormulaC19H32N2O5
Molecular Weight368.47 g/mol
Exact Mass368.23
IUPAC Nameditert-butyl 4-formyl-2,8-diazaspiro[4.5]decane-2,8-dicarboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)CN(C(=O)OC(C)(C)C)CC2C=O
InChIInChI=1S/C19H32N2O5/c1-17(2,3)25-15(23)20-9-7-19(8-10-20)13-21(11-14(19)12-22)16(24)26-18(4,5)6/h12,14H,7-11,13H2,1-6H3
InChIKeyNVVIFNLOXQVINN-UHFFFAOYSA-N
XLogP3.07
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-Butyl 1-formyl-3-azabicyclo(3.1.0)hexane-3-carboxylate
CID 75481760
1,1-Dimethylethyl 4-(1,1-dimethyl-2-oxoethyl)-1-piperidinecarboxylate
CID 90825810
tert-butyl (1S,5S)-1-formyl-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 97308003
Tert-butyl 5-formyl-3,3-dimethylpiperidine-1-carboxylate
CID 105503079
Tert-butyl 3-formyl-4,4-dimethylpiperidine-1-carboxylate
CID 137964377
Tert-butyl 4-formyl-3,3-dimethylpiperidine-1-carboxylate
CID 149659852
Tert-butyl 7-formyl-5-azaspiro(2.4)heptane-5-carboxylate
CID 132342222
Tert-butyl 3-tert-butyl-3-formylpyrrolidine-1-carboxylate
CID 137943630
rac-tert-butyl (1R,5R)-1-formyl-5-methyl-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 145874477
ditert-butyl (4S)-4-fluoro-4-formyl-2,8-diazaspiro[4.5]decane-2,8-dicarboxylate
CID 135030767
tert-Butyl (1R,5R)-1-formyl-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 97308002
2-O,8-O-ditert-butyl 4-O-ethyl 2,8-diazaspiro[4.5]decane-2,4,8-tricarboxylate
CID 135028875

Frequently Asked Questions

What is the IUPAC name of ditert-butyl 4-formyl-2,8-diazaspiro[4.5]decane-2,8-dicarboxylate?
The IUPAC name of ditert-butyl 4-formyl-2,8-diazaspiro[4.5]decane-2,8-dicarboxylate (CID 135028914) is ditert-butyl 4-formyl-2,8-diazaspiro[4.5]decane-2,8-dicarboxylate.
What is the SMILES notation for ditert-butyl 4-formyl-2,8-diazaspiro[4.5]decane-2,8-dicarboxylate?
The canonical SMILES for ditert-butyl 4-formyl-2,8-diazaspiro[4.5]decane-2,8-dicarboxylate is CC(C)(C)OC(=O)N1CCC2(CC1)CN(C(=O)OC(C)(C)C)CC2C=O.
What is the InChIKey of ditert-butyl 4-formyl-2,8-diazaspiro[4.5]decane-2,8-dicarboxylate?
The InChIKey is NVVIFNLOXQVINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O5/c1-17(2,3)25-15(23)20-9-7-19(8-10-20)13-21(11-14(19)12-22)16(24)26-18(4,5)6/h12,14H,7-11,13H2,1-6H3.
What are the key properties of ditert-butyl 4-formyl-2,8-diazaspiro[4.5]decane-2,8-dicarboxylate?
ditert-butyl 4-formyl-2,8-diazaspiro[4.5]decane-2,8-dicarboxylate has a molecular weight of 368.47 g/mol, XLogP of 3.07, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl 4-formyl-2,8-diazaspiro[4.5]decane-2,8-dicarboxylate is sourced from PubChem (CID 135028914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).