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

C13H21N3O2 — CID 114244542

IUPACN-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-8-oxaspiro[4.5]decan-4-amine
SMILESCc1noc(CNC2CCCC23CCOCC3)n1
InChIInChI=1S/C13H21N3O2/c1-10-15-12(18-16-10)9-14-11-3-2-4-13(11)5-7-17-8-6-13/h11,14H,2-9H2,1H3
InChIKeyZQQPXYUNXBEVCY-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.82
Rot. Bonds3

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

N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-8-oxaspiro[4.5]decan-4-amine (PubChem CID 114244542) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-8-oxaspiro[4.5]decan-4-amine.

Molecular Properties

Compound NameN-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-8-oxaspiro[4.5]decan-4-amine
PubChem CID114244542
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-8-oxaspiro[4.5]decan-4-amine
SMILESCc1noc(CNC2CCCC23CCOCC3)n1
InChIInChI=1S/C13H21N3O2/c1-10-15-12(18-16-10)9-14-11-3-2-4-13(11)5-7-17-8-6-13/h11,14H,2-9H2,1H3
InChIKeyZQQPXYUNXBEVCY-UHFFFAOYSA-N
XLogP1.82
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3,3-Dimethylcyclohexyl){[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl}amine
CID 56723389
3-[2-(Cyclopentylmethoxy)ethyl]-5-(2-piperidyl)-1,2,4-oxadiazole
CID 86820529
1-(2,2-Dimethylcyclopentyl)-3-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]urea
CID 71976511
(1S)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,2-dimethylcyclopentan-1-amine
CID 99834686
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(oxan-4-yl)methanamine
CID 62385488
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-propyloxan-4-amine
CID 64101422
2-ethyl-2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]oxan-4-amine
CID 64101423
2,2-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]oxan-4-amine
CID 64101625
2-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]oxan-4-amine
CID 64101626
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-propan-2-yloxan-4-amine
CID 64101628
2-methyl-N-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine
CID 64115999
N-[[3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]butan-2-amine
CID 64159931

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-8-oxaspiro[4.5]decan-4-amine?
The IUPAC name of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-8-oxaspiro[4.5]decan-4-amine (CID 114244542) is N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-8-oxaspiro[4.5]decan-4-amine.
What is the SMILES notation for N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-8-oxaspiro[4.5]decan-4-amine?
The canonical SMILES for N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-8-oxaspiro[4.5]decan-4-amine is Cc1noc(CNC2CCCC23CCOCC3)n1.
What is the InChIKey of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-8-oxaspiro[4.5]decan-4-amine?
The InChIKey is ZQQPXYUNXBEVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-10-15-12(18-16-10)9-14-11-3-2-4-13(11)5-7-17-8-6-13/h11,14H,2-9H2,1H3.
What are the key properties of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-8-oxaspiro[4.5]decan-4-amine?
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-8-oxaspiro[4.5]decan-4-amine has a molecular weight of 251.33 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-8-oxaspiro[4.5]decan-4-amine is sourced from PubChem (CID 114244542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).