3-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine

C11H22N4O — CID 115347304

IUPAC3-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine
SMILESCCC(c1nc(CCN(C)C)no1)C(C)N
InChIInChI=1S/C11H22N4O/c1-5-9(8(2)12)11-13-10(14-16-11)6-7-15(3)4/h8-9H,5-7,12H2,1-4H3
InChIKeyKUQPBOMMSKOCFG-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.01
Rot. Bonds6

About 3-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine

3-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine (PubChem CID 115347304) has the molecular formula C11H22N4O and a molecular weight of 226.32 g/mol. Its IUPAC name is 3-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine.

Molecular Properties

Compound Name3-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine
PubChem CID115347304
Molecular FormulaC11H22N4O
Molecular Weight226.32 g/mol
Exact Mass226.18
IUPAC Name3-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine
SMILESCCC(c1nc(CCN(C)C)no1)C(C)N
InChIInChI=1S/C11H22N4O/c1-5-9(8(2)12)11-13-10(14-16-11)6-7-15(3)4/h8-9H,5-7,12H2,1-4H3
InChIKeyKUQPBOMMSKOCFG-UHFFFAOYSA-N
XLogP1.01
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 ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The IUPAC name of 3-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine (CID 115347304) is 3-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine.
What is the SMILES notation for 3-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The canonical SMILES for 3-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine is CCC(c1nc(CCN(C)C)no1)C(C)N.
What is the InChIKey of 3-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The InChIKey is KUQPBOMMSKOCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O/c1-5-9(8(2)12)11-13-10(14-16-11)6-7-15(3)4/h8-9H,5-7,12H2,1-4H3.
What are the key properties of 3-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine?
3-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine has a molecular weight of 226.32 g/mol, XLogP of 1.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine is sourced from PubChem (CID 115347304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).