N-ethyl-N-methyl-5-[3-methyl-2-(methylamino)butyl]-1,2,4-oxadiazol-3-amine

C11H22N4O — CID 116809385

IUPACN-ethyl-N-methyl-5-[3-methyl-2-(methylamino)butyl]-1,2,4-oxadiazol-3-amine
SMILESCCN(C)c1noc(CC(NC)C(C)C)n1
InChIInChI=1S/C11H22N4O/c1-6-15(5)11-13-10(16-14-11)7-9(12-4)8(2)3/h8-9,12H,6-7H2,1-5H3
InChIKeyVLXJHMSJMXWKMN-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.31
Rot. Bonds6

About N-ethyl-N-methyl-5-[3-methyl-2-(methylamino)butyl]-1,2,4-oxadiazol-3-amine

N-ethyl-N-methyl-5-[3-methyl-2-(methylamino)butyl]-1,2,4-oxadiazol-3-amine (PubChem CID 116809385) has the molecular formula C11H22N4O and a molecular weight of 226.32 g/mol. Its IUPAC name is N-ethyl-N-methyl-5-[3-methyl-2-(methylamino)butyl]-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound NameN-ethyl-N-methyl-5-[3-methyl-2-(methylamino)butyl]-1,2,4-oxadiazol-3-amine
PubChem CID116809385
Molecular FormulaC11H22N4O
Molecular Weight226.32 g/mol
Exact Mass226.18
IUPAC NameN-ethyl-N-methyl-5-[3-methyl-2-(methylamino)butyl]-1,2,4-oxadiazol-3-amine
SMILESCCN(C)c1noc(CC(NC)C(C)C)n1
InChIInChI=1S/C11H22N4O/c1-6-15(5)11-13-10(16-14-11)7-9(12-4)8(2)3/h8-9,12H,6-7H2,1-5H3
InChIKeyVLXJHMSJMXWKMN-UHFFFAOYSA-N
XLogP1.31
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-5-[3-methyl-2-(methylamino)butyl]-1,2,4-oxadiazol-3-amine
CID 116799824
1-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 116809019
N-ethyl-5-[2-(ethylamino)propyl]-N-methyl-1,2,4-oxadiazol-3-amine
CID 116808213
N-ethyl-N-methyl-5-[2-(propylamino)butyl]-1,2,4-oxadiazol-3-amine
CID 116809384
1-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethylbutan-2-amine
CID 79718812
3-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-ol
CID 116809022
O-[[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]methyl]hydroxylamine
CID 116808238
N,N-dimethyl-5-[2-(methylamino)propyl]-1,2,4-oxadiazol-3-amine
CID 116799810
1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethylbutan-2-amine
CID 63350605
N,3-dimethyl-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63347349
1-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-ethyl-3-methylbutan-2-amine
CID 79086275
4-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]butanenitrile
CID 106527426

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-5-[3-methyl-2-(methylamino)butyl]-1,2,4-oxadiazol-3-amine?
The IUPAC name of N-ethyl-N-methyl-5-[3-methyl-2-(methylamino)butyl]-1,2,4-oxadiazol-3-amine (CID 116809385) is N-ethyl-N-methyl-5-[3-methyl-2-(methylamino)butyl]-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for N-ethyl-N-methyl-5-[3-methyl-2-(methylamino)butyl]-1,2,4-oxadiazol-3-amine?
The canonical SMILES for N-ethyl-N-methyl-5-[3-methyl-2-(methylamino)butyl]-1,2,4-oxadiazol-3-amine is CCN(C)c1noc(CC(NC)C(C)C)n1.
What is the InChIKey of N-ethyl-N-methyl-5-[3-methyl-2-(methylamino)butyl]-1,2,4-oxadiazol-3-amine?
The InChIKey is VLXJHMSJMXWKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O/c1-6-15(5)11-13-10(16-14-11)7-9(12-4)8(2)3/h8-9,12H,6-7H2,1-5H3.
What are the key properties of N-ethyl-N-methyl-5-[3-methyl-2-(methylamino)butyl]-1,2,4-oxadiazol-3-amine?
N-ethyl-N-methyl-5-[3-methyl-2-(methylamino)butyl]-1,2,4-oxadiazol-3-amine has a molecular weight of 226.32 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-5-[3-methyl-2-(methylamino)butyl]-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 116809385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).