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

C11H21N5O — CID 82889111

IUPACN-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(4-methylpiperazin-1-yl)ethanamine
SMILESCc1noc(CNCCN2CCN(C)CC2)n1
InChIInChI=1S/C11H21N5O/c1-10-13-11(17-14-10)9-12-3-4-16-7-5-15(2)6-8-16/h12H,3-9H2,1-2H3
InChIKeyMTZNJCXSJSAFAM-UHFFFAOYSA-N
MW239.32 g/mol
LogP-0.28
Rot. Bonds5

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

N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(4-methylpiperazin-1-yl)ethanamine (PubChem CID 82889111) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(4-methylpiperazin-1-yl)ethanamine.

Molecular Properties

Compound NameN-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(4-methylpiperazin-1-yl)ethanamine
PubChem CID82889111
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC NameN-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(4-methylpiperazin-1-yl)ethanamine
SMILESCc1noc(CNCCN2CCN(C)CC2)n1
InChIInChI=1S/C11H21N5O/c1-10-13-11(17-14-10)9-12-3-4-16-7-5-15(2)6-8-16/h12H,3-9H2,1-2H3
InChIKeyMTZNJCXSJSAFAM-UHFFFAOYSA-N
XLogP-0.28
TPSA57.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methyl-5-[3-methyl-4-(4-methylpiperazin-1-yl)butyl]-1,2,4-oxadiazole
CID 155265008
2-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111415810
2-ethylsulfonyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 61013517
2-(4-methylpiperazin-1-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 60701292
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]thiohydroxylamine
CID 155238388
N-methoxy-1-(3-methyl-1,2,4-oxadiazol-5-yl)methanamine
CID 82594465
2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 110677326
N-[[3-[4-(2-methylpyrimidin-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-2-morpholin-4-ylethanamine
CID 92565606
2,2-dimethyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]butanenitrile
CID 65249357
N-[(4,5-dimethylthiophen-2-yl)methyl]-2-(4-methylpiperazin-1-yl)ethanamine
CID 82889893
N-chloro-1-(3-methyl-1,2,4-oxadiazol-5-yl)methanamine
CID 165372391
1,3-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine
CID 115716903

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(4-methylpiperazin-1-yl)ethanamine?
The IUPAC name of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(4-methylpiperazin-1-yl)ethanamine (CID 82889111) is N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(4-methylpiperazin-1-yl)ethanamine.
What is the SMILES notation for N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(4-methylpiperazin-1-yl)ethanamine?
The canonical SMILES for N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(4-methylpiperazin-1-yl)ethanamine is Cc1noc(CNCCN2CCN(C)CC2)n1.
What is the InChIKey of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(4-methylpiperazin-1-yl)ethanamine?
The InChIKey is MTZNJCXSJSAFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-10-13-11(17-14-10)9-12-3-4-16-7-5-15(2)6-8-16/h12H,3-9H2,1-2H3.
What are the key properties of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(4-methylpiperazin-1-yl)ethanamine?
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(4-methylpiperazin-1-yl)ethanamine has a molecular weight of 239.32 g/mol, XLogP of -0.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(4-methylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 82889111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).