N-ethyl-5-[1-(ethylamino)propan-2-yl]-N-methyl-1,2,4-oxadiazol-3-amine

C10H20N4O — CID 116808322

IUPACN-ethyl-5-[1-(ethylamino)propan-2-yl]-N-methyl-1,2,4-oxadiazol-3-amine
SMILESCCNCC(C)c1nc(N(C)CC)no1
InChIInChI=1S/C10H20N4O/c1-5-11-7-8(3)9-12-10(13-15-9)14(4)6-2/h8,11H,5-7H2,1-4H3
InChIKeyRPBBNUDUSJABET-UHFFFAOYSA-N
MW212.30 g/mol
LogP1.24
Rot. Bonds6

About N-ethyl-5-[1-(ethylamino)propan-2-yl]-N-methyl-1,2,4-oxadiazol-3-amine

N-ethyl-5-[1-(ethylamino)propan-2-yl]-N-methyl-1,2,4-oxadiazol-3-amine (PubChem CID 116808322) has the molecular formula C10H20N4O and a molecular weight of 212.30 g/mol. Its IUPAC name is N-ethyl-5-[1-(ethylamino)propan-2-yl]-N-methyl-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound NameN-ethyl-5-[1-(ethylamino)propan-2-yl]-N-methyl-1,2,4-oxadiazol-3-amine
PubChem CID116808322
Molecular FormulaC10H20N4O
Molecular Weight212.30 g/mol
Exact Mass212.16
IUPAC NameN-ethyl-5-[1-(ethylamino)propan-2-yl]-N-methyl-1,2,4-oxadiazol-3-amine
SMILESCCNCC(C)c1nc(N(C)CC)no1
InChIInChI=1S/C10H20N4O/c1-5-11-7-8(3)9-12-10(13-15-9)14(4)6-2/h8,11H,5-7H2,1-4H3
InChIKeyRPBBNUDUSJABET-UHFFFAOYSA-N
XLogP1.24
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-aminobutan-2-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine
CID 116808252
N-ethyl-N-methyl-5-[1-(propylamino)ethyl]-1,2,4-oxadiazol-3-amine
CID 116809420
N-ethyl-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 62851902
5-(1-amino-1-phenylpropan-2-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine
CID 116809394
N-ethyl-2-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 116807179
N-ethyl-5-[2-(ethylamino)propyl]-N-methyl-1,2,4-oxadiazol-3-amine
CID 116808213
2-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylpropan-1-amine
CID 62854064
N-ethyl-2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 62851367
1-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 116809019
N-ethyl-2-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 62852253
N-ethyl-N-methyl-5-[3-methyl-2-(methylamino)butyl]-1,2,4-oxadiazol-3-amine
CID 116809385
N-ethyl-2-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 62853169

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[1-(ethylamino)propan-2-yl]-N-methyl-1,2,4-oxadiazol-3-amine?
The IUPAC name of N-ethyl-5-[1-(ethylamino)propan-2-yl]-N-methyl-1,2,4-oxadiazol-3-amine (CID 116808322) is N-ethyl-5-[1-(ethylamino)propan-2-yl]-N-methyl-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for N-ethyl-5-[1-(ethylamino)propan-2-yl]-N-methyl-1,2,4-oxadiazol-3-amine?
The canonical SMILES for N-ethyl-5-[1-(ethylamino)propan-2-yl]-N-methyl-1,2,4-oxadiazol-3-amine is CCNCC(C)c1nc(N(C)CC)no1.
What is the InChIKey of N-ethyl-5-[1-(ethylamino)propan-2-yl]-N-methyl-1,2,4-oxadiazol-3-amine?
The InChIKey is RPBBNUDUSJABET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O/c1-5-11-7-8(3)9-12-10(13-15-9)14(4)6-2/h8,11H,5-7H2,1-4H3.
What are the key properties of N-ethyl-5-[1-(ethylamino)propan-2-yl]-N-methyl-1,2,4-oxadiazol-3-amine?
N-ethyl-5-[1-(ethylamino)propan-2-yl]-N-methyl-1,2,4-oxadiazol-3-amine has a molecular weight of 212.30 g/mol, XLogP of 1.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[1-(ethylamino)propan-2-yl]-N-methyl-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 116808322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).