N'-ethyl-N'-(2-methylprop-1-enyl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethane-1,2-diamine

C11H20N4O — CID 143566751

IUPACN'-ethyl-N'-(2-methylprop-1-enyl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethane-1,2-diamine
SMILESCCN(C=C(C)C)CCNCc1ncon1
InChIInChI=1S/C11H20N4O/c1-4-15(8-10(2)3)6-5-12-7-11-13-9-16-14-11/h8-9,12H,4-7H2,1-3H3
InChIKeyMCGFDMXBCZYECL-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.40
Rot. Bonds7

About N'-ethyl-N'-(2-methylprop-1-enyl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethane-1,2-diamine

N'-ethyl-N'-(2-methylprop-1-enyl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethane-1,2-diamine (PubChem CID 143566751) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is N'-ethyl-N'-(2-methylprop-1-enyl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-(2-methylprop-1-enyl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethane-1,2-diamine
PubChem CID143566751
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC NameN'-ethyl-N'-(2-methylprop-1-enyl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethane-1,2-diamine
SMILESCCN(C=C(C)C)CCNCc1ncon1
InChIInChI=1S/C11H20N4O/c1-4-15(8-10(2)3)6-5-12-7-11-13-9-16-14-11/h8-9,12H,4-7H2,1-3H3
InChIKeyMCGFDMXBCZYECL-UHFFFAOYSA-N
XLogP1.40
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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'-ethyl-N'-(2-methylprop-1-enyl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N'-(2-methylprop-1-enyl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethane-1,2-diamine (CID 143566751) is N'-ethyl-N'-(2-methylprop-1-enyl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N'-(2-methylprop-1-enyl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N'-(2-methylprop-1-enyl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethane-1,2-diamine is CCN(C=C(C)C)CCNCc1ncon1.
What is the InChIKey of N'-ethyl-N'-(2-methylprop-1-enyl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethane-1,2-diamine?
The InChIKey is MCGFDMXBCZYECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-4-15(8-10(2)3)6-5-12-7-11-13-9-16-14-11/h8-9,12H,4-7H2,1-3H3.
What are the key properties of N'-ethyl-N'-(2-methylprop-1-enyl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethane-1,2-diamine?
N'-ethyl-N'-(2-methylprop-1-enyl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethane-1,2-diamine has a molecular weight of 224.31 g/mol, XLogP of 1.40, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-(2-methylprop-1-enyl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 143566751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).