N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine

C13H21N3O3 — CID 79119503

IUPACN-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCc1noc(CN(C)C2CCC3(CC2)OCCO3)n1
InChIInChI=1S/C13H21N3O3/c1-10-14-12(19-15-10)9-16(2)11-3-5-13(6-4-11)17-7-8-18-13/h11H,3-9H2,1-2H3
InChIKeyFLQHMFVQPMFZDJ-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.50
Rot. Bonds3

About N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine

N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 79119503) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID79119503
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC NameN-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCc1noc(CN(C)C2CCC3(CC2)OCCO3)n1
InChIInChI=1S/C13H21N3O3/c1-10-14-12(19-15-10)9-16(2)11-3-5-13(6-4-11)17-7-8-18-13/h11H,3-9H2,1-2H3
InChIKeyFLQHMFVQPMFZDJ-UHFFFAOYSA-N
XLogP1.50
TPSA60.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine (CID 79119503) is N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine is Cc1noc(CN(C)C2CCC3(CC2)OCCO3)n1.
What is the InChIKey of N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is FLQHMFVQPMFZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-10-14-12(19-15-10)9-16(2)11-3-5-13(6-4-11)17-7-8-18-13/h11H,3-9H2,1-2H3.
What are the key properties of N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine?
N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 267.33 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 79119503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).