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

C10H20N4O — CID 106962258

IUPAC5-(1-aminoethyl)-N-(2,3-dimethylbutyl)-1,3,4-oxadiazol-2-amine
SMILESCC(N)c1nnc(NCC(C)C(C)C)o1
InChIInChI=1S/C10H20N4O/c1-6(2)7(3)5-12-10-14-13-9(15-10)8(4)11/h6-8H,5,11H2,1-4H3,(H,12,14)
InChIKeyGELLNHOMDSNHCC-UHFFFAOYSA-N
MW212.30 g/mol
LogP1.79
Rot. Bonds5

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

5-(1-aminoethyl)-N-(2,3-dimethylbutyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106962258) has the molecular formula C10H20N4O and a molecular weight of 212.30 g/mol. Its IUPAC name is 5-(1-aminoethyl)-N-(2,3-dimethylbutyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(1-aminoethyl)-N-(2,3-dimethylbutyl)-1,3,4-oxadiazol-2-amine
PubChem CID106962258
Molecular FormulaC10H20N4O
Molecular Weight212.30 g/mol
Exact Mass212.16
IUPAC Name5-(1-aminoethyl)-N-(2,3-dimethylbutyl)-1,3,4-oxadiazol-2-amine
SMILESCC(N)c1nnc(NCC(C)C(C)C)o1
InChIInChI=1S/C10H20N4O/c1-6(2)7(3)5-12-10-14-13-9(15-10)8(4)11/h6-8H,5,11H2,1-4H3,(H,12,14)
InChIKeyGELLNHOMDSNHCC-UHFFFAOYSA-N
XLogP1.79
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1-aminoethyl)-N-(2,3-dimethylbutyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(1-aminoethyl)-N-(2,3-dimethylbutyl)-1,3,4-oxadiazol-2-amine (CID 106962258) is 5-(1-aminoethyl)-N-(2,3-dimethylbutyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(1-aminoethyl)-N-(2,3-dimethylbutyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(1-aminoethyl)-N-(2,3-dimethylbutyl)-1,3,4-oxadiazol-2-amine is CC(N)c1nnc(NCC(C)C(C)C)o1.
What is the InChIKey of 5-(1-aminoethyl)-N-(2,3-dimethylbutyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is GELLNHOMDSNHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O/c1-6(2)7(3)5-12-10-14-13-9(15-10)8(4)11/h6-8H,5,11H2,1-4H3,(H,12,14).
What are the key properties of 5-(1-aminoethyl)-N-(2,3-dimethylbutyl)-1,3,4-oxadiazol-2-amine?
5-(1-aminoethyl)-N-(2,3-dimethylbutyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 212.30 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminoethyl)-N-(2,3-dimethylbutyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106962258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).