tert-butyl 2-formyl-6-methyl-7-azaspiro[3.5]nonane-7-carboxylate

C15H25NO3 — CID 23565394

IUPACtert-butyl 2-formyl-6-methyl-7-azaspiro[3.5]nonane-7-carboxylate
SMILESCC1CC2(CCN1C(=O)OC(C)(C)C)CC(C=O)C2
InChIInChI=1S/C15H25NO3/c1-11-7-15(8-12(9-15)10-17)5-6-16(11)13(18)19-14(2,3)4/h10-12H,5-9H2,1-4H3
InChIKeyZFZQKCKQTIVPDT-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.00
Rot. Bonds1

About tert-butyl 2-formyl-6-methyl-7-azaspiro[3.5]nonane-7-carboxylate

tert-butyl 2-formyl-6-methyl-7-azaspiro[3.5]nonane-7-carboxylate (PubChem CID 23565394) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is tert-butyl 2-formyl-6-methyl-7-azaspiro[3.5]nonane-7-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-formyl-6-methyl-7-azaspiro[3.5]nonane-7-carboxylate
PubChem CID23565394
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Nametert-butyl 2-formyl-6-methyl-7-azaspiro[3.5]nonane-7-carboxylate
SMILESCC1CC2(CCN1C(=O)OC(C)(C)C)CC(C=O)C2
InChIInChI=1S/C15H25NO3/c1-11-7-15(8-12(9-15)10-17)5-6-16(11)13(18)19-14(2,3)4/h10-12H,5-9H2,1-4H3
InChIKeyZFZQKCKQTIVPDT-UHFFFAOYSA-N
XLogP3.00
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 4,4-ditert-butyl-2-methylpiperidine-1-carboxylate
CID 156630485
tert-butyl 6-formyl-2-azaspiro[3.3]heptane-2-carboxylate
CID 146470104
tert-butyl 4-(aminomethyl)-4-hydroxy-2-methylpiperidine-1-carboxylate
CID 83851170
tert-butyl 3'-formylspiro[1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-5,1'-cyclobutane]-2-carboxylate
CID 23565404
tert-butyl (2S,4R)-4-ethenyl-4-(ethenylsulfonylamino)-2-methylpiperidine-1-carboxylate
CID 86686860
tert-butyl (2R,5S)-5-formyl-2-methylpiperidine-1-carboxylate
CID 124680509
tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-6-formyl-7-azaspiro[3.5]nonane-7-carboxylate
CID 174050124
tert-butyl (5R,7S)-7-methyl-2,2-dioxo-2λ6-thia-1,8-diazaspiro[4.5]decane-8-carboxylate
CID 70169773
tert-butyl (2S,4S)-4-hydroxy-2-methyl-4-(2-methylpropyl)piperidine-1-carboxylate
CID 129410392
(7S)-6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[2.5]octane-7-carboxylic acid
CID 66848235
tert-butyl 4,4-difluoro-2-methylpyrrolidine-1-carboxylate;formic acid
CID 145420609
tert-butyl (5S,9S)-9-methyl-4-oxo-8-azaspiro[4.5]decane-8-carboxylate
CID 176830182

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-formyl-6-methyl-7-azaspiro[3.5]nonane-7-carboxylate?
The IUPAC name of tert-butyl 2-formyl-6-methyl-7-azaspiro[3.5]nonane-7-carboxylate (CID 23565394) is tert-butyl 2-formyl-6-methyl-7-azaspiro[3.5]nonane-7-carboxylate.
What is the SMILES notation for tert-butyl 2-formyl-6-methyl-7-azaspiro[3.5]nonane-7-carboxylate?
The canonical SMILES for tert-butyl 2-formyl-6-methyl-7-azaspiro[3.5]nonane-7-carboxylate is CC1CC2(CCN1C(=O)OC(C)(C)C)CC(C=O)C2.
What is the InChIKey of tert-butyl 2-formyl-6-methyl-7-azaspiro[3.5]nonane-7-carboxylate?
The InChIKey is ZFZQKCKQTIVPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-11-7-15(8-12(9-15)10-17)5-6-16(11)13(18)19-14(2,3)4/h10-12H,5-9H2,1-4H3.
What are the key properties of tert-butyl 2-formyl-6-methyl-7-azaspiro[3.5]nonane-7-carboxylate?
tert-butyl 2-formyl-6-methyl-7-azaspiro[3.5]nonane-7-carboxylate has a molecular weight of 267.37 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-formyl-6-methyl-7-azaspiro[3.5]nonane-7-carboxylate is sourced from PubChem (CID 23565394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).