N-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1,4-dioxaspiro[4.5]decan-8-amine

C12H19N3O3 — CID 79120234

IUPACN-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCN(Cc1ncon1)C1CCC2(CC1)OCCO2
InChIInChI=1S/C12H19N3O3/c1-15(8-11-13-9-18-14-11)10-2-4-12(5-3-10)16-6-7-17-12/h9-10H,2-8H2,1H3
InChIKeyFKCROWKSDTZDQH-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.19
Rot. Bonds3

About N-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1,4-dioxaspiro[4.5]decan-8-amine

N-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 79120234) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is N-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID79120234
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC NameN-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCN(Cc1ncon1)C1CCC2(CC1)OCCO2
InChIInChI=1S/C12H19N3O3/c1-15(8-11-13-9-18-14-11)10-2-4-12(5-3-10)16-6-7-17-12/h9-10H,2-8H2,1H3
InChIKeyFKCROWKSDTZDQH-UHFFFAOYSA-N
XLogP1.19
TPSA60.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of N-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1,4-dioxaspiro[4.5]decan-8-amine (CID 79120234) is N-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for N-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for N-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1,4-dioxaspiro[4.5]decan-8-amine is CN(Cc1ncon1)C1CCC2(CC1)OCCO2.
What is the InChIKey of N-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is FKCROWKSDTZDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-15(8-11-13-9-18-14-11)10-2-4-12(5-3-10)16-6-7-17-12/h9-10H,2-8H2,1H3.
What are the key properties of N-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1,4-dioxaspiro[4.5]decan-8-amine?
N-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 253.30 g/mol, XLogP of 1.19, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 79120234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).