N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(oxan-4-yl)ethanamine

C12H21N3O2 — CID 91828977

IUPACN-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(oxan-4-yl)ethanamine
SMILESCc1noc(CN(C)CCC2CCOCC2)n1
InChIInChI=1S/C12H21N3O2/c1-10-13-12(17-14-10)9-15(2)6-3-11-4-7-16-8-5-11/h11H,3-9H2,1-2H3
InChIKeyHENVRRPBRQSUGG-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.63
Rot. Bonds5

About N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(oxan-4-yl)ethanamine

N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(oxan-4-yl)ethanamine (PubChem CID 91828977) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(oxan-4-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(oxan-4-yl)ethanamine
PubChem CID91828977
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(oxan-4-yl)ethanamine
SMILESCc1noc(CN(C)CCC2CCOCC2)n1
InChIInChI=1S/C12H21N3O2/c1-10-13-12(17-14-10)9-15(2)6-3-11-4-7-16-8-5-11/h11H,3-9H2,1-2H3
InChIKeyHENVRRPBRQSUGG-UHFFFAOYSA-N
XLogP1.63
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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]-2-(oxan-4-yl)ethanamine?
The IUPAC name of N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(oxan-4-yl)ethanamine (CID 91828977) is N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(oxan-4-yl)ethanamine.
What is the SMILES notation for N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(oxan-4-yl)ethanamine?
The canonical SMILES for N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(oxan-4-yl)ethanamine is Cc1noc(CN(C)CCC2CCOCC2)n1.
What is the InChIKey of N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(oxan-4-yl)ethanamine?
The InChIKey is HENVRRPBRQSUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-10-13-12(17-14-10)9-15(2)6-3-11-4-7-16-8-5-11/h11H,3-9H2,1-2H3.
What are the key properties of N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(oxan-4-yl)ethanamine?
N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(oxan-4-yl)ethanamine has a molecular weight of 239.32 g/mol, XLogP of 1.63, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(oxan-4-yl)ethanamine is sourced from PubChem (CID 91828977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).