3-(azetidin-1-yl)-6-methyl-6-azaspiro[3.4]octane

C11H20N2 — CID 177006329

IUPAC3-(azetidin-1-yl)-6-methyl-6-azaspiro[3.4]octane
SMILESCN1CCC2(CCC2N2CCC2)C1
InChIInChI=1S/C11H20N2/c1-12-8-5-11(9-12)4-3-10(11)13-6-2-7-13/h10H,2-9H2,1H3
InChIKeyNBTBQHWZRMRYIR-UHFFFAOYSA-N
MW180.29 g/mol
LogP1.18
Rot. Bonds1

About 3-(azetidin-1-yl)-6-methyl-6-azaspiro[3.4]octane

3-(azetidin-1-yl)-6-methyl-6-azaspiro[3.4]octane (PubChem CID 177006329) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 3-(azetidin-1-yl)-6-methyl-6-azaspiro[3.4]octane.

Molecular Properties

Compound Name3-(azetidin-1-yl)-6-methyl-6-azaspiro[3.4]octane
PubChem CID177006329
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name3-(azetidin-1-yl)-6-methyl-6-azaspiro[3.4]octane
SMILESCN1CCC2(CCC2N2CCC2)C1
InChIInChI=1S/C11H20N2/c1-12-8-5-11(9-12)4-3-10(11)13-6-2-7-13/h10H,2-9H2,1H3
InChIKeyNBTBQHWZRMRYIR-UHFFFAOYSA-N
XLogP1.18
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-1-yl)-6-methyl-6-azaspiro[3.4]octane?
The IUPAC name of 3-(azetidin-1-yl)-6-methyl-6-azaspiro[3.4]octane (CID 177006329) is 3-(azetidin-1-yl)-6-methyl-6-azaspiro[3.4]octane.
What is the SMILES notation for 3-(azetidin-1-yl)-6-methyl-6-azaspiro[3.4]octane?
The canonical SMILES for 3-(azetidin-1-yl)-6-methyl-6-azaspiro[3.4]octane is CN1CCC2(CCC2N2CCC2)C1.
What is the InChIKey of 3-(azetidin-1-yl)-6-methyl-6-azaspiro[3.4]octane?
The InChIKey is NBTBQHWZRMRYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-12-8-5-11(9-12)4-3-10(11)13-6-2-7-13/h10H,2-9H2,1H3.
What are the key properties of 3-(azetidin-1-yl)-6-methyl-6-azaspiro[3.4]octane?
3-(azetidin-1-yl)-6-methyl-6-azaspiro[3.4]octane has a molecular weight of 180.29 g/mol, XLogP of 1.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidin-1-yl)-6-methyl-6-azaspiro[3.4]octane is sourced from PubChem (CID 177006329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).