5-(2-aminoethyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine

C6H12N4O — CID 75481048

IUPAC5-(2-aminoethyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine
SMILESCN(C)c1noc(CCN)n1
InChIInChI=1S/C6H12N4O/c1-10(2)6-8-5(3-4-7)11-9-6/h3-4,7H2,1-2H3
InChIKeyAKBDWBZVAVSHEJ-UHFFFAOYSA-N
MW156.19 g/mol
LogP-0.36
Rot. Bonds3

About 5-(2-aminoethyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine

5-(2-aminoethyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine (PubChem CID 75481048) has the molecular formula C6H12N4O and a molecular weight of 156.19 g/mol. Its IUPAC name is 5-(2-aminoethyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-(2-aminoethyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine
PubChem CID75481048
Molecular FormulaC6H12N4O
Molecular Weight156.19 g/mol
Exact Mass156.10
IUPAC Name5-(2-aminoethyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine
SMILESCN(C)c1noc(CCN)n1
InChIInChI=1S/C6H12N4O/c1-10(2)6-8-5(3-4-7)11-9-6/h3-4,7H2,1-2H3
InChIKeyAKBDWBZVAVSHEJ-UHFFFAOYSA-N
XLogP-0.36
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 116799790
N,N-dimethyl-5-[2-(propan-2-ylamino)ethyl]-1,2,4-oxadiazol-3-amine
CID 115747820
2-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]acetic acid
CID 116799732
5-[(tert-butylamino)methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 115741669
2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 25220842
5-[2-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 136516263
N,N-dimethyl-5-[2-(methylamino)propyl]-1,2,4-oxadiazol-3-amine
CID 116799810
2-(3-butyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 79002327
2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 61412753
5-[(2-amino-1,3-thiazol-4-yl)methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 116799505
5-[(2,6-dichlorophenyl)methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 139617834
N,N-dimethyl-5-[3-methyl-2-(methylamino)butyl]-1,2,4-oxadiazol-3-amine
CID 116799824

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-(2-aminoethyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine (CID 75481048) is 5-(2-aminoethyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-(2-aminoethyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-(2-aminoethyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine is CN(C)c1noc(CCN)n1.
What is the InChIKey of 5-(2-aminoethyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The InChIKey is AKBDWBZVAVSHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O/c1-10(2)6-8-5(3-4-7)11-9-6/h3-4,7H2,1-2H3.
What are the key properties of 5-(2-aminoethyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
5-(2-aminoethyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine has a molecular weight of 156.19 g/mol, XLogP of -0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 75481048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).