tert-butyl 2-acetyl-2,7-diazaspiro[3.5]nonane-7-carboxylate;ethane

C18H36N2O3 — CID 176939645

IUPACtert-butyl 2-acetyl-2,7-diazaspiro[3.5]nonane-7-carboxylate;ethane
SMILESCC.CC.CC(=O)N1CC2(CCN(C(=O)OC(C)(C)C)CC2)C1
InChIInChI=1S/C14H24N2O3.2C2H6/c1-11(17)16-9-14(10-16)5-7-15(8-6-14)12(18)19-13(2,3)4;2*1-2/h5-10H2,1-4H3;2*1-2H3
InChIKeyDORMUQHWUOUKML-UHFFFAOYSA-N
MW328.50 g/mol
LogP3.92
Rot. Bonds

About tert-butyl 2-acetyl-2,7-diazaspiro[3.5]nonane-7-carboxylate;ethane

tert-butyl 2-acetyl-2,7-diazaspiro[3.5]nonane-7-carboxylate;ethane (PubChem CID 176939645) has the molecular formula C18H36N2O3 and a molecular weight of 328.50 g/mol. Its IUPAC name is tert-butyl 2-acetyl-2,7-diazaspiro[3.5]nonane-7-carboxylate;ethane.

Molecular Properties

Compound Nametert-butyl 2-acetyl-2,7-diazaspiro[3.5]nonane-7-carboxylate;ethane
PubChem CID176939645
Molecular FormulaC18H36N2O3
Molecular Weight328.50 g/mol
Exact Mass328.27
IUPAC Nametert-butyl 2-acetyl-2,7-diazaspiro[3.5]nonane-7-carboxylate;ethane
SMILESCC.CC.CC(=O)N1CC2(CCN(C(=O)OC(C)(C)C)CC2)C1
InChIInChI=1S/C14H24N2O3.2C2H6/c1-11(17)16-9-14(10-16)5-7-15(8-6-14)12(18)19-13(2,3)4;2*1-2/h5-10H2,1-4H3;2*1-2H3
InChIKeyDORMUQHWUOUKML-UHFFFAOYSA-N
XLogP3.92
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl 2-acetyl-2,7-diazaspiro[3.5]nonane-7-carboxylate;ethane with MolForge

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Related Compounds

tert-butyl 6-azaspiro[2.5]octane-6-carboxylate;methane
CID 177036398
tert-butyl 7-methyl-2,7-diazaspiro[4.4]nonane-2-carboxylate
CID 118994126
tert-butyl 7-azaspiro[3.5]nonane-7-carboxylate
CID 130609664
tert-butyl 2-ethyl-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 145230287
2-[(2-methylpropan-2-yl)oxycarbonyl]-2,7-diazaspiro[3.4]octane-7-carboxylic acid
CID 123916808
tert-butyl 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 167439501
tert-butyl 3-carbonochloridoyl-3,9-diazaspiro[5.5]undecane-9-carboxylate
CID 142473443
tert-butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate;ethane
CID 176939891
tert-butyl 2-methyl-6-azaspiro[3.4]octane-6-carboxylate
CID 144719040
tert-butyl 7-cyclopropyl-2,7-diazaspiro[4.4]nonane-2-carboxylate
CID 90426746
tert-butyl (5S)-7-but-2-ynoyl-2,7-diazaspiro[4.4]nonane-2-carboxylate
CID 178118729
tert-butyl 4-(4-acetylpiperazine-1-carbonyl)piperazine-1-carboxylate
CID 20716162

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-acetyl-2,7-diazaspiro[3.5]nonane-7-carboxylate;ethane?
The IUPAC name of tert-butyl 2-acetyl-2,7-diazaspiro[3.5]nonane-7-carboxylate;ethane (CID 176939645) is tert-butyl 2-acetyl-2,7-diazaspiro[3.5]nonane-7-carboxylate;ethane.
What is the SMILES notation for tert-butyl 2-acetyl-2,7-diazaspiro[3.5]nonane-7-carboxylate;ethane?
The canonical SMILES for tert-butyl 2-acetyl-2,7-diazaspiro[3.5]nonane-7-carboxylate;ethane is CC.CC.CC(=O)N1CC2(CCN(C(=O)OC(C)(C)C)CC2)C1.
What is the InChIKey of tert-butyl 2-acetyl-2,7-diazaspiro[3.5]nonane-7-carboxylate;ethane?
The InChIKey is DORMUQHWUOUKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3.2C2H6/c1-11(17)16-9-14(10-16)5-7-15(8-6-14)12(18)19-13(2,3)4;2*1-2/h5-10H2,1-4H3;2*1-2H3.
What are the key properties of tert-butyl 2-acetyl-2,7-diazaspiro[3.5]nonane-7-carboxylate;ethane?
tert-butyl 2-acetyl-2,7-diazaspiro[3.5]nonane-7-carboxylate;ethane has a molecular weight of 328.50 g/mol, XLogP of 3.92, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-acetyl-2,7-diazaspiro[3.5]nonane-7-carboxylate;ethane is sourced from PubChem (CID 176939645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).