5-(1-aminoethyl)-N-(7-methyloctyl)-1,3,4-oxadiazol-2-amine

C13H26N4O — CID 114004538

IUPAC5-(1-aminoethyl)-N-(7-methyloctyl)-1,3,4-oxadiazol-2-amine
SMILESCC(C)CCCCCCNc1nnc(C(C)N)o1
InChIInChI=1S/C13H26N4O/c1-10(2)8-6-4-5-7-9-15-13-17-16-12(18-13)11(3)14/h10-11H,4-9,14H2,1-3H3,(H,15,17)
InChIKeyNKALBYMTKNETRW-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.11
Rot. Bonds9

About 5-(1-aminoethyl)-N-(7-methyloctyl)-1,3,4-oxadiazol-2-amine

5-(1-aminoethyl)-N-(7-methyloctyl)-1,3,4-oxadiazol-2-amine (PubChem CID 114004538) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is 5-(1-aminoethyl)-N-(7-methyloctyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(1-aminoethyl)-N-(7-methyloctyl)-1,3,4-oxadiazol-2-amine
PubChem CID114004538
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC Name5-(1-aminoethyl)-N-(7-methyloctyl)-1,3,4-oxadiazol-2-amine
SMILESCC(C)CCCCCCNc1nnc(C(C)N)o1
InChIInChI=1S/C13H26N4O/c1-10(2)8-6-4-5-7-9-15-13-17-16-12(18-13)11(3)14/h10-11H,4-9,14H2,1-3H3,(H,15,17)
InChIKeyNKALBYMTKNETRW-UHFFFAOYSA-N
XLogP3.11
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.11
H-Bond Donors ≤ 52
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 5-(1-aminoethyl)-N-(7-methyloctyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(1-aminoethyl)-N-(7-methyloctyl)-1,3,4-oxadiazol-2-amine (CID 114004538) is 5-(1-aminoethyl)-N-(7-methyloctyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(1-aminoethyl)-N-(7-methyloctyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(1-aminoethyl)-N-(7-methyloctyl)-1,3,4-oxadiazol-2-amine is CC(C)CCCCCCNc1nnc(C(C)N)o1.
What is the InChIKey of 5-(1-aminoethyl)-N-(7-methyloctyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is NKALBYMTKNETRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c1-10(2)8-6-4-5-7-9-15-13-17-16-12(18-13)11(3)14/h10-11H,4-9,14H2,1-3H3,(H,15,17).
What are the key properties of 5-(1-aminoethyl)-N-(7-methyloctyl)-1,3,4-oxadiazol-2-amine?
5-(1-aminoethyl)-N-(7-methyloctyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 254.38 g/mol, XLogP of 3.11, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminoethyl)-N-(7-methyloctyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 114004538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).