3-(azetidin-1-ylmethyl)-6-methyl-6-azaspiro[3.4]octane;ethane

C14H28N2 — CID 177005452

IUPAC3-(azetidin-1-ylmethyl)-6-methyl-6-azaspiro[3.4]octane;ethane
SMILESCC.CN1CCC2(CCC2CN2CCC2)C1
InChIInChI=1S/C12H22N2.C2H6/c1-13-8-5-12(10-13)4-3-11(12)9-14-6-2-7-14;1-2/h11H,2-10H2,1H3;1-2H3
InChIKeyWGTDJTQJJFUGRW-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.45
Rot. Bonds2

About 3-(azetidin-1-ylmethyl)-6-methyl-6-azaspiro[3.4]octane;ethane

3-(azetidin-1-ylmethyl)-6-methyl-6-azaspiro[3.4]octane;ethane (PubChem CID 177005452) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 3-(azetidin-1-ylmethyl)-6-methyl-6-azaspiro[3.4]octane;ethane.

Molecular Properties

Compound Name3-(azetidin-1-ylmethyl)-6-methyl-6-azaspiro[3.4]octane;ethane
PubChem CID177005452
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name3-(azetidin-1-ylmethyl)-6-methyl-6-azaspiro[3.4]octane;ethane
SMILESCC.CN1CCC2(CCC2CN2CCC2)C1
InChIInChI=1S/C12H22N2.C2H6/c1-13-8-5-12(10-13)4-3-11(12)9-14-6-2-7-14;1-2/h11H,2-10H2,1H3;1-2H3
InChIKeyWGTDJTQJJFUGRW-UHFFFAOYSA-N
XLogP2.45
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-1-ylmethyl)-6-methyl-6-azaspiro[3.4]octane;ethane?
The IUPAC name of 3-(azetidin-1-ylmethyl)-6-methyl-6-azaspiro[3.4]octane;ethane (CID 177005452) is 3-(azetidin-1-ylmethyl)-6-methyl-6-azaspiro[3.4]octane;ethane.
What is the SMILES notation for 3-(azetidin-1-ylmethyl)-6-methyl-6-azaspiro[3.4]octane;ethane?
The canonical SMILES for 3-(azetidin-1-ylmethyl)-6-methyl-6-azaspiro[3.4]octane;ethane is CC.CN1CCC2(CCC2CN2CCC2)C1.
What is the InChIKey of 3-(azetidin-1-ylmethyl)-6-methyl-6-azaspiro[3.4]octane;ethane?
The InChIKey is WGTDJTQJJFUGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2.C2H6/c1-13-8-5-12(10-13)4-3-11(12)9-14-6-2-7-14;1-2/h11H,2-10H2,1H3;1-2H3.
What are the key properties of 3-(azetidin-1-ylmethyl)-6-methyl-6-azaspiro[3.4]octane;ethane?
3-(azetidin-1-ylmethyl)-6-methyl-6-azaspiro[3.4]octane;ethane has a molecular weight of 224.39 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidin-1-ylmethyl)-6-methyl-6-azaspiro[3.4]octane;ethane is sourced from PubChem (CID 177005452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).