tert-butyl 8-cyclohexyl-2,8-diazaspiro[4.5]decane-2-carboxylate

C19H34N2O2 — CID 68969463

IUPACtert-butyl 8-cyclohexyl-2,8-diazaspiro[4.5]decane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CCN(C3CCCCC3)CC2)C1
InChIInChI=1S/C19H34N2O2/c1-18(2,3)23-17(22)21-14-11-19(15-21)9-12-20(13-10-19)16-7-5-4-6-8-16/h16H,4-15H2,1-3H3
InChIKeyAKUTXMYLKZQDJS-UHFFFAOYSA-N
MW322.49 g/mol
LogP4.04
Rot. Bonds1

About tert-butyl 8-cyclohexyl-2,8-diazaspiro[4.5]decane-2-carboxylate

tert-butyl 8-cyclohexyl-2,8-diazaspiro[4.5]decane-2-carboxylate (PubChem CID 68969463) has the molecular formula C19H34N2O2 and a molecular weight of 322.49 g/mol. Its IUPAC name is tert-butyl 8-cyclohexyl-2,8-diazaspiro[4.5]decane-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 8-cyclohexyl-2,8-diazaspiro[4.5]decane-2-carboxylate
PubChem CID68969463
Molecular FormulaC19H34N2O2
Molecular Weight322.49 g/mol
Exact Mass322.26
IUPAC Nametert-butyl 8-cyclohexyl-2,8-diazaspiro[4.5]decane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CCN(C3CCCCC3)CC2)C1
InChIInChI=1S/C19H34N2O2/c1-18(2,3)23-17(22)21-14-11-19(15-21)9-12-20(13-10-19)16-7-5-4-6-8-16/h16H,4-15H2,1-3H3
InChIKeyAKUTXMYLKZQDJS-UHFFFAOYSA-N
XLogP4.04
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.49
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 7-cyclopropyl-2,7-diazaspiro[4.4]nonane-2-carboxylate
CID 90426746
tert-butyl 4-cyclohexylpiperazine-1-carboxylate
CID 57478584
tert-butyl 9-(azetidin-1-yl)-3-azaspiro[5.5]undecane-3-carboxylate
CID 66850495
tert-butyl 2-(1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl)-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 140810799
tert-butyl 8-amino-2-azaspiro[4.5]decane-2-carboxylate
CID 71630735
tert-butyl 7-(cyclohexanecarbonyl)-2,7-diazaspiro[3.5]nonane-2-carboxylate
CID 163728766
tert-butyl 7-(4-ethynylcyclohexyl)-2,7-diazaspiro[3.5]nonane-2-carboxylate
CID 155218899
tert-butyl 2-methyl-6-azaspiro[3.4]octane-6-carboxylate
CID 144719040
tert-butyl 4-(4,4-dimethylpiperidin-1-yl)piperidine-1-carboxylate
CID 22179860
tert-butyl (5R)-8-hydroxy-2-azaspiro[4.4]nonane-2-carboxylate
CID 163302209
tert-butyl 4-(4-hydroxy-4-methylpiperidin-1-yl)piperidine-1-carboxylate
CID 67298757
tert-butyl 2-amino-6-azaspiro[3.4]octane-6-carboxylate
CID 56962195

Frequently Asked Questions

What is the IUPAC name of tert-butyl 8-cyclohexyl-2,8-diazaspiro[4.5]decane-2-carboxylate?
The IUPAC name of tert-butyl 8-cyclohexyl-2,8-diazaspiro[4.5]decane-2-carboxylate (CID 68969463) is tert-butyl 8-cyclohexyl-2,8-diazaspiro[4.5]decane-2-carboxylate.
What is the SMILES notation for tert-butyl 8-cyclohexyl-2,8-diazaspiro[4.5]decane-2-carboxylate?
The canonical SMILES for tert-butyl 8-cyclohexyl-2,8-diazaspiro[4.5]decane-2-carboxylate is CC(C)(C)OC(=O)N1CCC2(CCN(C3CCCCC3)CC2)C1.
What is the InChIKey of tert-butyl 8-cyclohexyl-2,8-diazaspiro[4.5]decane-2-carboxylate?
The InChIKey is AKUTXMYLKZQDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O2/c1-18(2,3)23-17(22)21-14-11-19(15-21)9-12-20(13-10-19)16-7-5-4-6-8-16/h16H,4-15H2,1-3H3.
What are the key properties of tert-butyl 8-cyclohexyl-2,8-diazaspiro[4.5]decane-2-carboxylate?
tert-butyl 8-cyclohexyl-2,8-diazaspiro[4.5]decane-2-carboxylate has a molecular weight of 322.49 g/mol, XLogP of 4.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 8-cyclohexyl-2,8-diazaspiro[4.5]decane-2-carboxylate is sourced from PubChem (CID 68969463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).