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

C8H16N4O — CID 116806455

IUPAC5-(1-aminoethyl)-N,N-diethyl-1,2,4-oxadiazol-3-amine
SMILESCCN(CC)c1noc(C(C)N)n1
InChIInChI=1S/C8H16N4O/c1-4-12(5-2)8-10-7(6(3)9)13-11-8/h6H,4-5,9H2,1-3H3
InChIKeyNPWWXVKEUOSFES-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.94
Rot. Bonds4

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

5-(1-aminoethyl)-N,N-diethyl-1,2,4-oxadiazol-3-amine (PubChem CID 116806455) has the molecular formula C8H16N4O and a molecular weight of 184.24 g/mol. Its IUPAC name is 5-(1-aminoethyl)-N,N-diethyl-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-(1-aminoethyl)-N,N-diethyl-1,2,4-oxadiazol-3-amine
PubChem CID116806455
Molecular FormulaC8H16N4O
Molecular Weight184.24 g/mol
Exact Mass184.13
IUPAC Name5-(1-aminoethyl)-N,N-diethyl-1,2,4-oxadiazol-3-amine
SMILESCCN(CC)c1noc(C(C)N)n1
InChIInChI=1S/C8H16N4O/c1-4-12(5-2)8-10-7(6(3)9)13-11-8/h6H,4-5,9H2,1-3H3
InChIKeyNPWWXVKEUOSFES-UHFFFAOYSA-N
XLogP0.94
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1-aminoethyl)-N,N-diethyl-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-(1-aminoethyl)-N,N-diethyl-1,2,4-oxadiazol-3-amine (CID 116806455) is 5-(1-aminoethyl)-N,N-diethyl-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-(1-aminoethyl)-N,N-diethyl-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-(1-aminoethyl)-N,N-diethyl-1,2,4-oxadiazol-3-amine is CCN(CC)c1noc(C(C)N)n1.
What is the InChIKey of 5-(1-aminoethyl)-N,N-diethyl-1,2,4-oxadiazol-3-amine?
The InChIKey is NPWWXVKEUOSFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O/c1-4-12(5-2)8-10-7(6(3)9)13-11-8/h6H,4-5,9H2,1-3H3.
What are the key properties of 5-(1-aminoethyl)-N,N-diethyl-1,2,4-oxadiazol-3-amine?
5-(1-aminoethyl)-N,N-diethyl-1,2,4-oxadiazol-3-amine has a molecular weight of 184.24 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminoethyl)-N,N-diethyl-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 116806455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).