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

C10H19N3O2 — CID 106394350

IUPAC3-methoxy-3-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-1-amine
SMILESCOC(C)(C)CCNCCc1ncno1
InChIInChI=1S/C10H19N3O2/c1-10(2,14-3)5-7-11-6-4-9-12-8-13-15-9/h8,11H,4-7H2,1-3H3
InChIKeyXQAXNVYSEJRTBN-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.02
Rot. Bonds7

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

3-methoxy-3-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-1-amine (PubChem CID 106394350) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-methoxy-3-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-1-amine.

Molecular Properties

Compound Name3-methoxy-3-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-1-amine
PubChem CID106394350
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name3-methoxy-3-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-1-amine
SMILESCOC(C)(C)CCNCCc1ncno1
InChIInChI=1S/C10H19N3O2/c1-10(2,14-3)5-7-11-6-4-9-12-8-13-15-9/h8,11H,4-7H2,1-3H3
InChIKeyXQAXNVYSEJRTBN-UHFFFAOYSA-N
XLogP1.02
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-1-amine
CID 106399897
2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]acetonitrile
CID 106399744
4,4,4-trifluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-1-amine
CID 106399868
methyl 2-hydroxy-2-methyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propanoate
CID 106399515
N-[(3,5-dibromo-4-methoxyphenyl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine
CID 103744723
2-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-1-amine
CID 103838479
2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]prop-2-en-1-amine
CID 106399887
ethyl 3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propanoate
CID 106399552
N-[2-(2-ethoxyphenoxy)ethyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine
CID 106399915
5-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine
CID 106403802
N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-pyridin-2-ylethanamine
CID 106400344
N-[(2-methoxy-3-pyridinyl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine
CID 106400363

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-1-amine?
The IUPAC name of 3-methoxy-3-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-1-amine (CID 106394350) is 3-methoxy-3-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-1-amine.
What is the SMILES notation for 3-methoxy-3-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-1-amine?
The canonical SMILES for 3-methoxy-3-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-1-amine is COC(C)(C)CCNCCc1ncno1.
What is the InChIKey of 3-methoxy-3-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-1-amine?
The InChIKey is XQAXNVYSEJRTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-10(2,14-3)5-7-11-6-4-9-12-8-13-15-9/h8,11H,4-7H2,1-3H3.
What are the key properties of 3-methoxy-3-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-1-amine?
3-methoxy-3-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-1-amine has a molecular weight of 213.28 g/mol, XLogP of 1.02, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-1-amine is sourced from PubChem (CID 106394350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).