1-(5-heptyl-1,3,4-oxadiazol-2-yl)-N-methylpropan-1-amine

C13H25N3O — CID 62859102

IUPAC1-(5-heptyl-1,3,4-oxadiazol-2-yl)-N-methylpropan-1-amine
SMILESCCCCCCCc1nnc(C(CC)NC)o1
InChIInChI=1S/C13H25N3O/c1-4-6-7-8-9-10-12-15-16-13(17-12)11(5-2)14-3/h11,14H,4-10H2,1-3H3
InChIKeyWUICQQRODMFTRI-UHFFFAOYSA-N
MW239.36 g/mol
LogP3.25
Rot. Bonds9

About 1-(5-heptyl-1,3,4-oxadiazol-2-yl)-N-methylpropan-1-amine

1-(5-heptyl-1,3,4-oxadiazol-2-yl)-N-methylpropan-1-amine (PubChem CID 62859102) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-(5-heptyl-1,3,4-oxadiazol-2-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-(5-heptyl-1,3,4-oxadiazol-2-yl)-N-methylpropan-1-amine
PubChem CID62859102
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name1-(5-heptyl-1,3,4-oxadiazol-2-yl)-N-methylpropan-1-amine
SMILESCCCCCCCc1nnc(C(CC)NC)o1
InChIInChI=1S/C13H25N3O/c1-4-6-7-8-9-10-12-15-16-13(17-12)11(5-2)14-3/h11,14H,4-10H2,1-3H3
InChIKeyWUICQQRODMFTRI-UHFFFAOYSA-N
XLogP3.25
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.25
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-heptyl-1,3,4-oxadiazol-2-yl)-N-methylpropan-1-amine?
The IUPAC name of 1-(5-heptyl-1,3,4-oxadiazol-2-yl)-N-methylpropan-1-amine (CID 62859102) is 1-(5-heptyl-1,3,4-oxadiazol-2-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 1-(5-heptyl-1,3,4-oxadiazol-2-yl)-N-methylpropan-1-amine?
The canonical SMILES for 1-(5-heptyl-1,3,4-oxadiazol-2-yl)-N-methylpropan-1-amine is CCCCCCCc1nnc(C(CC)NC)o1.
What is the InChIKey of 1-(5-heptyl-1,3,4-oxadiazol-2-yl)-N-methylpropan-1-amine?
The InChIKey is WUICQQRODMFTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-4-6-7-8-9-10-12-15-16-13(17-12)11(5-2)14-3/h11,14H,4-10H2,1-3H3.
What are the key properties of 1-(5-heptyl-1,3,4-oxadiazol-2-yl)-N-methylpropan-1-amine?
1-(5-heptyl-1,3,4-oxadiazol-2-yl)-N-methylpropan-1-amine has a molecular weight of 239.36 g/mol, XLogP of 3.25, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-heptyl-1,3,4-oxadiazol-2-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 62859102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).