tert-butyl 6-methyl-2,6-diazaspiro[3.3]heptane-2-carboxylate;ethane

C13H26N2O2 — CID 144686266

IUPACtert-butyl 6-methyl-2,6-diazaspiro[3.3]heptane-2-carboxylate;ethane
SMILESCC.CN1CC2(C1)CN(C(=O)OC(C)(C)C)C2
InChIInChI=1S/C11H20N2O2.C2H6/c1-10(2,3)15-9(14)13-7-11(8-13)5-12(4)6-11;1-2/h5-8H2,1-4H3;1-2H3
InChIKeySYHMGKHHTRQCMM-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.20
Rot. Bonds

About tert-butyl 6-methyl-2,6-diazaspiro[3.3]heptane-2-carboxylate;ethane

tert-butyl 6-methyl-2,6-diazaspiro[3.3]heptane-2-carboxylate;ethane (PubChem CID 144686266) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is tert-butyl 6-methyl-2,6-diazaspiro[3.3]heptane-2-carboxylate;ethane.

Molecular Properties

Compound Nametert-butyl 6-methyl-2,6-diazaspiro[3.3]heptane-2-carboxylate;ethane
PubChem CID144686266
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Nametert-butyl 6-methyl-2,6-diazaspiro[3.3]heptane-2-carboxylate;ethane
SMILESCC.CN1CC2(C1)CN(C(=O)OC(C)(C)C)C2
InChIInChI=1S/C11H20N2O2.C2H6/c1-10(2,3)15-9(14)13-7-11(8-13)5-12(4)6-11;1-2/h5-8H2,1-4H3;1-2H3
InChIKeySYHMGKHHTRQCMM-UHFFFAOYSA-N
XLogP2.20
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 7-methyl-2,7-diazaspiro[4.4]nonane-2-carboxylate
CID 118994126
CID 176582761
CID 176582761
tert-butyl 6-(2-oxopropyl)-2,6-diazaspiro[3.3]heptane-2-carboxylate
CID 172586842
tert-butyl 2,7-diazaspiro[3.5]nonane-2-carboxylate;ethane
CID 168901437
bis(tert-butyl 2,6-diazaspiro[3.3]heptane-2-carboxylate);oxalic acid
CID 50902214
2-[(2-methylpropan-2-yl)oxycarbonyl]-2,7-diazaspiro[3.4]octane-7-carboxylic acid
CID 123916808
tert-butyl 2-(2,2-dimethylpropylsulfonyl)-2,6-diazaspiro[3.3]heptane-6-carboxylate
CID 162745655
tert-butyl 6-formyl-2-azaspiro[3.3]heptane-2-carboxylate
CID 146470104
tert-butyl 3,3-bis(methylamino)azetidine-1-carboxylate
CID 174271991
tert-butyl 3-methoxy-3-methylazetidine-1-carboxylate
CID 58530249
tert-butyl 7-methoxy-2-azaspiro[3.5]nonane-2-carboxylate
CID 144515725
tert-butyl 6-pyrazin-2-yl-2,6-diazaspiro[3.3]heptane-2-carboxylate
CID 132850081

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-methyl-2,6-diazaspiro[3.3]heptane-2-carboxylate;ethane?
The IUPAC name of tert-butyl 6-methyl-2,6-diazaspiro[3.3]heptane-2-carboxylate;ethane (CID 144686266) is tert-butyl 6-methyl-2,6-diazaspiro[3.3]heptane-2-carboxylate;ethane.
What is the SMILES notation for tert-butyl 6-methyl-2,6-diazaspiro[3.3]heptane-2-carboxylate;ethane?
The canonical SMILES for tert-butyl 6-methyl-2,6-diazaspiro[3.3]heptane-2-carboxylate;ethane is CC.CN1CC2(C1)CN(C(=O)OC(C)(C)C)C2.
What is the InChIKey of tert-butyl 6-methyl-2,6-diazaspiro[3.3]heptane-2-carboxylate;ethane?
The InChIKey is SYHMGKHHTRQCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2.C2H6/c1-10(2,3)15-9(14)13-7-11(8-13)5-12(4)6-11;1-2/h5-8H2,1-4H3;1-2H3.
What are the key properties of tert-butyl 6-methyl-2,6-diazaspiro[3.3]heptane-2-carboxylate;ethane?
tert-butyl 6-methyl-2,6-diazaspiro[3.3]heptane-2-carboxylate;ethane has a molecular weight of 242.36 g/mol, XLogP of 2.20, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-methyl-2,6-diazaspiro[3.3]heptane-2-carboxylate;ethane is sourced from PubChem (CID 144686266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).