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

C9H18N4O — CID 106960512

IUPAC5-(1-aminoethyl)-N-(2-methylbutyl)-1,3,4-oxadiazol-2-amine
SMILESCCC(C)CNc1nnc(C(C)N)o1
InChIInChI=1S/C9H18N4O/c1-4-6(2)5-11-9-13-12-8(14-9)7(3)10/h6-7H,4-5,10H2,1-3H3,(H,11,13)
InChIKeyUXLIREYJSHOLSV-UHFFFAOYSA-N
MW198.27 g/mol
LogP1.55
Rot. Bonds5

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

5-(1-aminoethyl)-N-(2-methylbutyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106960512) has the molecular formula C9H18N4O and a molecular weight of 198.27 g/mol. Its IUPAC name is 5-(1-aminoethyl)-N-(2-methylbutyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(1-aminoethyl)-N-(2-methylbutyl)-1,3,4-oxadiazol-2-amine
PubChem CID106960512
Molecular FormulaC9H18N4O
Molecular Weight198.27 g/mol
Exact Mass198.15
IUPAC Name5-(1-aminoethyl)-N-(2-methylbutyl)-1,3,4-oxadiazol-2-amine
SMILESCCC(C)CNc1nnc(C(C)N)o1
InChIInChI=1S/C9H18N4O/c1-4-6(2)5-11-9-13-12-8(14-9)7(3)10/h6-7H,4-5,10H2,1-3H3,(H,11,13)
InChIKeyUXLIREYJSHOLSV-UHFFFAOYSA-N
XLogP1.55
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.55
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-methylbutyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(1-aminoethyl)-N-(2-methylbutyl)-1,3,4-oxadiazol-2-amine (CID 106960512) is 5-(1-aminoethyl)-N-(2-methylbutyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(1-aminoethyl)-N-(2-methylbutyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(1-aminoethyl)-N-(2-methylbutyl)-1,3,4-oxadiazol-2-amine is CCC(C)CNc1nnc(C(C)N)o1.
What is the InChIKey of 5-(1-aminoethyl)-N-(2-methylbutyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is UXLIREYJSHOLSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O/c1-4-6(2)5-11-9-13-12-8(14-9)7(3)10/h6-7H,4-5,10H2,1-3H3,(H,11,13).
What are the key properties of 5-(1-aminoethyl)-N-(2-methylbutyl)-1,3,4-oxadiazol-2-amine?
5-(1-aminoethyl)-N-(2-methylbutyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 198.27 g/mol, XLogP of 1.55, 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-methylbutyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106960512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).