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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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).