1-(5-ethyl-1,2,4-oxadiazol-3-yl)hexan-1-amine

C10H19N3O — CID 43559341

IUPAC1-(5-ethyl-1,2,4-oxadiazol-3-yl)hexan-1-amine
SMILESCCCCCC(N)c1noc(CC)n1
InChIInChI=1S/C10H19N3O/c1-3-5-6-7-8(11)10-12-9(4-2)14-13-10/h8H,3-7,11H2,1-2H3
InChIKeyMKBSIEMQKWVNRP-UHFFFAOYSA-N
MW197.28 g/mol
LogP2.21
Rot. Bonds6

About 1-(5-ethyl-1,2,4-oxadiazol-3-yl)hexan-1-amine

1-(5-ethyl-1,2,4-oxadiazol-3-yl)hexan-1-amine (PubChem CID 43559341) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-(5-ethyl-1,2,4-oxadiazol-3-yl)hexan-1-amine.

Molecular Properties

Compound Name1-(5-ethyl-1,2,4-oxadiazol-3-yl)hexan-1-amine
PubChem CID43559341
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name1-(5-ethyl-1,2,4-oxadiazol-3-yl)hexan-1-amine
SMILESCCCCCC(N)c1noc(CC)n1
InChIInChI=1S/C10H19N3O/c1-3-5-6-7-8(11)10-12-9(4-2)14-13-10/h8H,3-7,11H2,1-2H3
InChIKeyMKBSIEMQKWVNRP-UHFFFAOYSA-N
XLogP2.21
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-1,2,4-oxadiazol-3-yl)hexan-1-amine?
The IUPAC name of 1-(5-ethyl-1,2,4-oxadiazol-3-yl)hexan-1-amine (CID 43559341) is 1-(5-ethyl-1,2,4-oxadiazol-3-yl)hexan-1-amine.
What is the SMILES notation for 1-(5-ethyl-1,2,4-oxadiazol-3-yl)hexan-1-amine?
The canonical SMILES for 1-(5-ethyl-1,2,4-oxadiazol-3-yl)hexan-1-amine is CCCCCC(N)c1noc(CC)n1.
What is the InChIKey of 1-(5-ethyl-1,2,4-oxadiazol-3-yl)hexan-1-amine?
The InChIKey is MKBSIEMQKWVNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-3-5-6-7-8(11)10-12-9(4-2)14-13-10/h8H,3-7,11H2,1-2H3.
What are the key properties of 1-(5-ethyl-1,2,4-oxadiazol-3-yl)hexan-1-amine?
1-(5-ethyl-1,2,4-oxadiazol-3-yl)hexan-1-amine has a molecular weight of 197.28 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-1,2,4-oxadiazol-3-yl)hexan-1-amine is sourced from PubChem (CID 43559341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).