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

C10H19N3O2 — CID 102672106

IUPAC3-methoxy-2-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine
SMILESCOCC(C)CNCCc1nc(C)no1
InChIInChI=1S/C10H19N3O2/c1-8(7-14-3)6-11-5-4-10-12-9(2)13-15-10/h8,11H,4-7H2,1-3H3
InChIKeyGDELSHJWILUSIV-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.79
Rot. Bonds7

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

3-methoxy-2-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine (PubChem CID 102672106) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-methoxy-2-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-methoxy-2-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine
PubChem CID102672106
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name3-methoxy-2-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine
SMILESCOCC(C)CNCCc1nc(C)no1
InChIInChI=1S/C10H19N3O2/c1-8(7-14-3)6-11-5-4-10-12-9(2)13-15-10/h8,11H,4-7H2,1-3H3
InChIKeyGDELSHJWILUSIV-UHFFFAOYSA-N
XLogP0.79
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 ≤ 50.79
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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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine?
The IUPAC name of 3-methoxy-2-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine (CID 102672106) is 3-methoxy-2-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine.
What is the SMILES notation for 3-methoxy-2-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine?
The canonical SMILES for 3-methoxy-2-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine is COCC(C)CNCCc1nc(C)no1.
What is the InChIKey of 3-methoxy-2-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine?
The InChIKey is GDELSHJWILUSIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-8(7-14-3)6-11-5-4-10-12-9(2)13-15-10/h8,11H,4-7H2,1-3H3.
What are the key properties of 3-methoxy-2-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine?
3-methoxy-2-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine has a molecular weight of 213.28 g/mol, XLogP of 0.79, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine is sourced from PubChem (CID 102672106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).