3-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]but-3-en-1-amine

C10H17N3O — CID 106416031

IUPAC3-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]but-3-en-1-amine
SMILESC=C(C)CCNCCc1noc(C)n1
InChIInChI=1S/C10H17N3O/c1-8(2)4-6-11-7-5-10-12-9(3)14-13-10/h11H,1,4-7H2,2-3H3
InChIKeyXRIUIAQTCHJMEW-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.48
Rot. Bonds6

About 3-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]but-3-en-1-amine

3-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]but-3-en-1-amine (PubChem CID 106416031) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 3-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]but-3-en-1-amine.

Molecular Properties

Compound Name3-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]but-3-en-1-amine
PubChem CID106416031
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name3-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]but-3-en-1-amine
SMILESC=C(C)CCNCCc1noc(C)n1
InChIInChI=1S/C10H17N3O/c1-8(2)4-6-11-7-5-10-12-9(3)14-13-10/h11H,1,4-7H2,2-3H3
InChIKeyXRIUIAQTCHJMEW-UHFFFAOYSA-N
XLogP1.48
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]propanoate
CID 103714527
3-fluoro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine
CID 103790275
2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]acetic acid
CID 106415961
N'-hydroxy-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]butanimidamide
CID 106418352
2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(pyrimidin-2-ylmethyl)ethanamine
CID 106415872
[4-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]methyl]phenyl]methanol
CID 114186023
1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-one
CID 12955451
methyl 2-bromo-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]propanoate
CID 106419608
5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pentanoic acid
CID 106401677
4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]butan-2-ol
CID 107911665
1-(4-ethylphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine
CID 103721561
(2S)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propane-1,2-diol
CID 106398321

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]but-3-en-1-amine?
The IUPAC name of 3-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]but-3-en-1-amine (CID 106416031) is 3-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]but-3-en-1-amine.
What is the SMILES notation for 3-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]but-3-en-1-amine?
The canonical SMILES for 3-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]but-3-en-1-amine is C=C(C)CCNCCc1noc(C)n1.
What is the InChIKey of 3-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]but-3-en-1-amine?
The InChIKey is XRIUIAQTCHJMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-8(2)4-6-11-7-5-10-12-9(3)14-13-10/h11H,1,4-7H2,2-3H3.
What are the key properties of 3-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]but-3-en-1-amine?
3-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]but-3-en-1-amine has a molecular weight of 195.27 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]but-3-en-1-amine is sourced from PubChem (CID 106416031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).