methyl 6-methyl-1,6-diazaspiro[3.3]heptane-1-carboxylate

C8H14N2O2 — CID 118974431

IUPACmethyl 6-methyl-1,6-diazaspiro[3.3]heptane-1-carboxylate
SMILESCOC(=O)N1CCC12CN(C)C2
InChIInChI=1S/C8H14N2O2/c1-9-5-8(6-9)3-4-10(8)7(11)12-2/h3-6H2,1-2H3
InChIKeyYSUXNZDOAKAWHY-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.14
Rot. Bonds

About methyl 6-methyl-1,6-diazaspiro[3.3]heptane-1-carboxylate

methyl 6-methyl-1,6-diazaspiro[3.3]heptane-1-carboxylate (PubChem CID 118974431) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is methyl 6-methyl-1,6-diazaspiro[3.3]heptane-1-carboxylate.

Molecular Properties

Compound Namemethyl 6-methyl-1,6-diazaspiro[3.3]heptane-1-carboxylate
PubChem CID118974431
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Namemethyl 6-methyl-1,6-diazaspiro[3.3]heptane-1-carboxylate
SMILESCOC(=O)N1CCC12CN(C)C2
InChIInChI=1S/C8H14N2O2/c1-9-5-8(6-9)3-4-10(8)7(11)12-2/h3-6H2,1-2H3
InChIKeyYSUXNZDOAKAWHY-UHFFFAOYSA-N
XLogP0.14
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 6-methyl-1,6-diazaspiro[3.3]heptane-1-carboxylate?
The IUPAC name of methyl 6-methyl-1,6-diazaspiro[3.3]heptane-1-carboxylate (CID 118974431) is methyl 6-methyl-1,6-diazaspiro[3.3]heptane-1-carboxylate.
What is the SMILES notation for methyl 6-methyl-1,6-diazaspiro[3.3]heptane-1-carboxylate?
The canonical SMILES for methyl 6-methyl-1,6-diazaspiro[3.3]heptane-1-carboxylate is COC(=O)N1CCC12CN(C)C2.
What is the InChIKey of methyl 6-methyl-1,6-diazaspiro[3.3]heptane-1-carboxylate?
The InChIKey is YSUXNZDOAKAWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-9-5-8(6-9)3-4-10(8)7(11)12-2/h3-6H2,1-2H3.
What are the key properties of methyl 6-methyl-1,6-diazaspiro[3.3]heptane-1-carboxylate?
methyl 6-methyl-1,6-diazaspiro[3.3]heptane-1-carboxylate has a molecular weight of 170.21 g/mol, XLogP of 0.14, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-methyl-1,6-diazaspiro[3.3]heptane-1-carboxylate is sourced from PubChem (CID 118974431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).