4-methyl-5-azaspiro[2.4]heptane

C7H13N — CID 55287371

IUPAC4-methyl-5-azaspiro[2.4]heptane
SMILESCC1NCCC12CC2
InChIInChI=1S/C7H13N/c1-6-7(2-3-7)4-5-8-6/h6,8H,2-5H2,1H3
InChIKeyRBJULIGHDSBASH-UHFFFAOYSA-N
MW111.19 g/mol
LogP1.15
Rot. Bonds

About 4-methyl-5-azaspiro[2.4]heptane

4-methyl-5-azaspiro[2.4]heptane (PubChem CID 55287371) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is 4-methyl-5-azaspiro[2.4]heptane.

Molecular Properties

Compound Name4-methyl-5-azaspiro[2.4]heptane
PubChem CID55287371
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name4-methyl-5-azaspiro[2.4]heptane
SMILESCC1NCCC12CC2
InChIInChI=1S/C7H13N/c1-6-7(2-3-7)4-5-8-6/h6,8H,2-5H2,1H3
InChIKeyRBJULIGHDSBASH-UHFFFAOYSA-N
XLogP1.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-azaspiro[2.4]heptane?
The IUPAC name of 4-methyl-5-azaspiro[2.4]heptane (CID 55287371) is 4-methyl-5-azaspiro[2.4]heptane.
What is the SMILES notation for 4-methyl-5-azaspiro[2.4]heptane?
The canonical SMILES for 4-methyl-5-azaspiro[2.4]heptane is CC1NCCC12CC2.
What is the InChIKey of 4-methyl-5-azaspiro[2.4]heptane?
The InChIKey is RBJULIGHDSBASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N/c1-6-7(2-3-7)4-5-8-6/h6,8H,2-5H2,1H3.
What are the key properties of 4-methyl-5-azaspiro[2.4]heptane?
4-methyl-5-azaspiro[2.4]heptane has a molecular weight of 111.19 g/mol, XLogP of 1.15, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-azaspiro[2.4]heptane is sourced from PubChem (CID 55287371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).