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

C13H25N3O — CID 62163225

IUPACN-ethyl-1-(5-heptan-3-yl-1,3,4-oxadiazol-2-yl)ethanamine
SMILESCCCCC(CC)c1nnc(C(C)NCC)o1
InChIInChI=1S/C13H25N3O/c1-5-8-9-11(6-2)13-16-15-12(17-13)10(4)14-7-3/h10-11,14H,5-9H2,1-4H3
InChIKeyHQEYWNLOYIEAML-UHFFFAOYSA-N
MW239.36 g/mol
LogP3.42
Rot. Bonds8

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

N-ethyl-1-(5-heptan-3-yl-1,3,4-oxadiazol-2-yl)ethanamine (PubChem CID 62163225) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is N-ethyl-1-(5-heptan-3-yl-1,3,4-oxadiazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(5-heptan-3-yl-1,3,4-oxadiazol-2-yl)ethanamine
PubChem CID62163225
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC NameN-ethyl-1-(5-heptan-3-yl-1,3,4-oxadiazol-2-yl)ethanamine
SMILESCCCCC(CC)c1nnc(C(C)NCC)o1
InChIInChI=1S/C13H25N3O/c1-5-8-9-11(6-2)13-16-15-12(17-13)10(4)14-7-3/h10-11,14H,5-9H2,1-4H3
InChIKeyHQEYWNLOYIEAML-UHFFFAOYSA-N
XLogP3.42
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(5-heptan-3-yl-1,3,4-oxadiazol-2-yl)ethanamine?
The IUPAC name of N-ethyl-1-(5-heptan-3-yl-1,3,4-oxadiazol-2-yl)ethanamine (CID 62163225) is N-ethyl-1-(5-heptan-3-yl-1,3,4-oxadiazol-2-yl)ethanamine.
What is the SMILES notation for N-ethyl-1-(5-heptan-3-yl-1,3,4-oxadiazol-2-yl)ethanamine?
The canonical SMILES for N-ethyl-1-(5-heptan-3-yl-1,3,4-oxadiazol-2-yl)ethanamine is CCCCC(CC)c1nnc(C(C)NCC)o1.
What is the InChIKey of N-ethyl-1-(5-heptan-3-yl-1,3,4-oxadiazol-2-yl)ethanamine?
The InChIKey is HQEYWNLOYIEAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-5-8-9-11(6-2)13-16-15-12(17-13)10(4)14-7-3/h10-11,14H,5-9H2,1-4H3.
What are the key properties of N-ethyl-1-(5-heptan-3-yl-1,3,4-oxadiazol-2-yl)ethanamine?
N-ethyl-1-(5-heptan-3-yl-1,3,4-oxadiazol-2-yl)ethanamine has a molecular weight of 239.36 g/mol, XLogP of 3.42, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(5-heptan-3-yl-1,3,4-oxadiazol-2-yl)ethanamine is sourced from PubChem (CID 62163225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).