1-methyl-1-azaspiro[3.3]heptane

C7H13N — CID 118001601

IUPAC1-methyl-1-azaspiro[3.3]heptane
SMILESCN1CCC12CCC2
InChIInChI=1S/C7H13N/c1-8-6-5-7(8)3-2-4-7/h2-6H2,1H3
InChIKeyBDVNKJVSRAEKCB-UHFFFAOYSA-N
MW111.19 g/mol
LogP1.24
Rot. Bonds

About 1-methyl-1-azaspiro[3.3]heptane

1-methyl-1-azaspiro[3.3]heptane (PubChem CID 118001601) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is 1-methyl-1-azaspiro[3.3]heptane.

Molecular Properties

Compound Name1-methyl-1-azaspiro[3.3]heptane
PubChem CID118001601
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name1-methyl-1-azaspiro[3.3]heptane
SMILESCN1CCC12CCC2
InChIInChI=1S/C7H13N/c1-8-6-5-7(8)3-2-4-7/h2-6H2,1H3
InChIKeyBDVNKJVSRAEKCB-UHFFFAOYSA-N
XLogP1.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-azaspiro[3.3]heptane?
The IUPAC name of 1-methyl-1-azaspiro[3.3]heptane (CID 118001601) is 1-methyl-1-azaspiro[3.3]heptane.
What is the SMILES notation for 1-methyl-1-azaspiro[3.3]heptane?
The canonical SMILES for 1-methyl-1-azaspiro[3.3]heptane is CN1CCC12CCC2.
What is the InChIKey of 1-methyl-1-azaspiro[3.3]heptane?
The InChIKey is BDVNKJVSRAEKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N/c1-8-6-5-7(8)3-2-4-7/h2-6H2,1H3.
What are the key properties of 1-methyl-1-azaspiro[3.3]heptane?
1-methyl-1-azaspiro[3.3]heptane has a molecular weight of 111.19 g/mol, XLogP of 1.24, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-azaspiro[3.3]heptane is sourced from PubChem (CID 118001601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).