1-(5-heptan-3-yl-1,2,4-oxadiazol-3-yl)ethanamine

C11H21N3O — CID 61324179

IUPAC1-(5-heptan-3-yl-1,2,4-oxadiazol-3-yl)ethanamine
SMILESCCCCC(CC)c1nc(C(C)N)no1
InChIInChI=1S/C11H21N3O/c1-4-6-7-9(5-2)11-13-10(8(3)12)14-15-11/h8-9H,4-7,12H2,1-3H3
InChIKeyBAMSHCVLOFJJTG-UHFFFAOYSA-N
MW211.31 g/mol
LogP2.77
Rot. Bonds6

About 1-(5-heptan-3-yl-1,2,4-oxadiazol-3-yl)ethanamine

1-(5-heptan-3-yl-1,2,4-oxadiazol-3-yl)ethanamine (PubChem CID 61324179) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 1-(5-heptan-3-yl-1,2,4-oxadiazol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(5-heptan-3-yl-1,2,4-oxadiazol-3-yl)ethanamine
PubChem CID61324179
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name1-(5-heptan-3-yl-1,2,4-oxadiazol-3-yl)ethanamine
SMILESCCCCC(CC)c1nc(C(C)N)no1
InChIInChI=1S/C11H21N3O/c1-4-6-7-9(5-2)11-13-10(8(3)12)14-15-11/h8-9H,4-7,12H2,1-3H3
InChIKeyBAMSHCVLOFJJTG-UHFFFAOYSA-N
XLogP2.77
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-heptan-3-yl-1,2,4-oxadiazol-3-yl)ethanamine?
The IUPAC name of 1-(5-heptan-3-yl-1,2,4-oxadiazol-3-yl)ethanamine (CID 61324179) is 1-(5-heptan-3-yl-1,2,4-oxadiazol-3-yl)ethanamine.
What is the SMILES notation for 1-(5-heptan-3-yl-1,2,4-oxadiazol-3-yl)ethanamine?
The canonical SMILES for 1-(5-heptan-3-yl-1,2,4-oxadiazol-3-yl)ethanamine is CCCCC(CC)c1nc(C(C)N)no1.
What is the InChIKey of 1-(5-heptan-3-yl-1,2,4-oxadiazol-3-yl)ethanamine?
The InChIKey is BAMSHCVLOFJJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-4-6-7-9(5-2)11-13-10(8(3)12)14-15-11/h8-9H,4-7,12H2,1-3H3.
What are the key properties of 1-(5-heptan-3-yl-1,2,4-oxadiazol-3-yl)ethanamine?
1-(5-heptan-3-yl-1,2,4-oxadiazol-3-yl)ethanamine has a molecular weight of 211.31 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-heptan-3-yl-1,2,4-oxadiazol-3-yl)ethanamine is sourced from PubChem (CID 61324179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).