5-(2-aminoethyl)-N-(2-methylpropyl)-N-propan-2-yl-1,3,4-oxadiazol-2-amine

C11H22N4O — CID 106959707

IUPAC5-(2-aminoethyl)-N-(2-methylpropyl)-N-propan-2-yl-1,3,4-oxadiazol-2-amine
SMILESCC(C)CN(c1nnc(CCN)o1)C(C)C
InChIInChI=1S/C11H22N4O/c1-8(2)7-15(9(3)4)11-14-13-10(16-11)5-6-12/h8-9H,5-7,12H2,1-4H3
InChIKeyUKSTWVRZSAPDGL-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.44
Rot. Bonds6

About 5-(2-aminoethyl)-N-(2-methylpropyl)-N-propan-2-yl-1,3,4-oxadiazol-2-amine

5-(2-aminoethyl)-N-(2-methylpropyl)-N-propan-2-yl-1,3,4-oxadiazol-2-amine (PubChem CID 106959707) has the molecular formula C11H22N4O and a molecular weight of 226.32 g/mol. Its IUPAC name is 5-(2-aminoethyl)-N-(2-methylpropyl)-N-propan-2-yl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(2-aminoethyl)-N-(2-methylpropyl)-N-propan-2-yl-1,3,4-oxadiazol-2-amine
PubChem CID106959707
Molecular FormulaC11H22N4O
Molecular Weight226.32 g/mol
Exact Mass226.18
IUPAC Name5-(2-aminoethyl)-N-(2-methylpropyl)-N-propan-2-yl-1,3,4-oxadiazol-2-amine
SMILESCC(C)CN(c1nnc(CCN)o1)C(C)C
InChIInChI=1S/C11H22N4O/c1-8(2)7-15(9(3)4)11-14-13-10(16-11)5-6-12/h8-9H,5-7,12H2,1-4H3
InChIKeyUKSTWVRZSAPDGL-UHFFFAOYSA-N
XLogP1.44
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-N-(2-methylpropyl)-N-propan-2-yl-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(2-aminoethyl)-N-(2-methylpropyl)-N-propan-2-yl-1,3,4-oxadiazol-2-amine (CID 106959707) is 5-(2-aminoethyl)-N-(2-methylpropyl)-N-propan-2-yl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(2-aminoethyl)-N-(2-methylpropyl)-N-propan-2-yl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(2-aminoethyl)-N-(2-methylpropyl)-N-propan-2-yl-1,3,4-oxadiazol-2-amine is CC(C)CN(c1nnc(CCN)o1)C(C)C.
What is the InChIKey of 5-(2-aminoethyl)-N-(2-methylpropyl)-N-propan-2-yl-1,3,4-oxadiazol-2-amine?
The InChIKey is UKSTWVRZSAPDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O/c1-8(2)7-15(9(3)4)11-14-13-10(16-11)5-6-12/h8-9H,5-7,12H2,1-4H3.
What are the key properties of 5-(2-aminoethyl)-N-(2-methylpropyl)-N-propan-2-yl-1,3,4-oxadiazol-2-amine?
5-(2-aminoethyl)-N-(2-methylpropyl)-N-propan-2-yl-1,3,4-oxadiazol-2-amine has a molecular weight of 226.32 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-N-(2-methylpropyl)-N-propan-2-yl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106959707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).