N',N'-dimethyl-1-[5-(2-methylbutan-2-yl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine

C11H22N4O — CID 104635365

IUPACN',N'-dimethyl-1-[5-(2-methylbutan-2-yl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
SMILESCCC(C)(C)c1nc(C(N)CN(C)C)no1
InChIInChI=1S/C11H22N4O/c1-6-11(2,3)10-13-9(14-16-10)8(12)7-15(4)5/h8H,6-7,12H2,1-5H3
InChIKeyOLGXQMYRQUHISM-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.32
Rot. Bonds5

About N',N'-dimethyl-1-[5-(2-methylbutan-2-yl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine

N',N'-dimethyl-1-[5-(2-methylbutan-2-yl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine (PubChem CID 104635365) has the molecular formula C11H22N4O and a molecular weight of 226.32 g/mol. Its IUPAC name is N',N'-dimethyl-1-[5-(2-methylbutan-2-yl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-1-[5-(2-methylbutan-2-yl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
PubChem CID104635365
Molecular FormulaC11H22N4O
Molecular Weight226.32 g/mol
Exact Mass226.18
IUPAC NameN',N'-dimethyl-1-[5-(2-methylbutan-2-yl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
SMILESCCC(C)(C)c1nc(C(N)CN(C)C)no1
InChIInChI=1S/C11H22N4O/c1-6-11(2,3)10-13-9(14-16-10)8(12)7-15(4)5/h8H,6-7,12H2,1-5H3
InChIKeyOLGXQMYRQUHISM-UHFFFAOYSA-N
XLogP1.32
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-2-[5-(2-methylbutan-2-yl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633421
3-(1-chloropropyl)-5-(2-methylbutan-2-yl)-1,2,4-oxadiazole
CID 103095683
N',N'-dimethyl-1-[5-(2,4,4-trimethylpentyl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
CID 104635083
1-[5-(2-methylbutan-2-yl)-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 62679022
N',N'-dimethyl-1-[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
CID 104635243
[5-(2-methylbutan-2-yl)-1,2,4-oxadiazol-3-yl]methanamine
CID 62677703
N',N'-dimethyl-1-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
CID 103211824
1-[5-(3,5-dibromophenyl)-1,2,4-oxadiazol-3-yl]-N',N'-dimethylethane-1,2-diamine
CID 107974503
N',N'-dimethyl-1-[5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
CID 104635213
1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]-N',N'-dimethylethane-1,2-diamine
CID 104635196
1-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-N',N'-dimethylethane-1,2-diamine
CID 104635308
1-[5-(5-ethylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-N',N'-dimethylethane-1,2-diamine
CID 104635324

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-1-[5-(2-methylbutan-2-yl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-1-[5-(2-methylbutan-2-yl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine (CID 104635365) is N',N'-dimethyl-1-[5-(2-methylbutan-2-yl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-1-[5-(2-methylbutan-2-yl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-1-[5-(2-methylbutan-2-yl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine is CCC(C)(C)c1nc(C(N)CN(C)C)no1.
What is the InChIKey of N',N'-dimethyl-1-[5-(2-methylbutan-2-yl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine?
The InChIKey is OLGXQMYRQUHISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O/c1-6-11(2,3)10-13-9(14-16-10)8(12)7-15(4)5/h8H,6-7,12H2,1-5H3.
What are the key properties of N',N'-dimethyl-1-[5-(2-methylbutan-2-yl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine?
N',N'-dimethyl-1-[5-(2-methylbutan-2-yl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine has a molecular weight of 226.32 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-1-[5-(2-methylbutan-2-yl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine is sourced from PubChem (CID 104635365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).