2-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-1-amine

C10H19N3O — CID 103838479

IUPAC2-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-1-amine
SMILESCCC(CC)CNCCc1ncno1
InChIInChI=1S/C10H19N3O/c1-3-9(4-2)7-11-6-5-10-12-8-13-14-10/h8-9,11H,3-7H2,1-2H3
InChIKeyAIVVSKDCBXGXGQ-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.64
Rot. Bonds7

About 2-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-1-amine

2-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-1-amine (PubChem CID 103838479) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-1-amine
PubChem CID103838479
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name2-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-1-amine
SMILESCCC(CC)CNCCc1ncno1
InChIInChI=1S/C10H19N3O/c1-3-9(4-2)7-11-6-5-10-12-8-13-14-10/h8-9,11H,3-7H2,1-2H3
InChIKeyAIVVSKDCBXGXGQ-UHFFFAOYSA-N
XLogP1.64
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.64
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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Related Compounds

3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propane-1,2-diol
CID 106399669
2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]acetonitrile
CID 106399744
N-butan-2-yl-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]acetamide
CID 106399910
1-(2-methylpropoxy)-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propan-2-ol
CID 114183958
2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]prop-2-en-1-amine
CID 106399887
1-hexoxy-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propan-2-ol
CID 106399827
(2R)-2-amino-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 106397573
1-(ethylamino)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propane-2-sulfonamide
CID 114185435
4-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-1-amine
CID 106399897
2-(1,2,4-oxadiazol-5-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 103744486
N-[(1-methylpyrrol-3-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine
CID 103872079
ethyl 3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propanoate
CID 106399552

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-1-amine?
The IUPAC name of 2-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-1-amine (CID 103838479) is 2-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-1-amine.
What is the SMILES notation for 2-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-1-amine?
The canonical SMILES for 2-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-1-amine is CCC(CC)CNCCc1ncno1.
What is the InChIKey of 2-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-1-amine?
The InChIKey is AIVVSKDCBXGXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-3-9(4-2)7-11-6-5-10-12-8-13-14-10/h8-9,11H,3-7H2,1-2H3.
What are the key properties of 2-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-1-amine?
2-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-1-amine has a molecular weight of 197.28 g/mol, XLogP of 1.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-1-amine is sourced from PubChem (CID 103838479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).