N-(1,2,4-oxadiazol-3-ylmethyl)pentan-3-amine

C8H15N3O — CID 106392566

IUPACN-(1,2,4-oxadiazol-3-ylmethyl)pentan-3-amine
SMILESCCC(CC)NCc1ncon1
InChIInChI=1S/C8H15N3O/c1-3-7(4-2)9-5-8-10-6-12-11-8/h6-7,9H,3-5H2,1-2H3
InChIKeyIZSSIMQONJCNKB-UHFFFAOYSA-N
MW169.23 g/mol
LogP1.35
Rot. Bonds5

About N-(1,2,4-oxadiazol-3-ylmethyl)pentan-3-amine

N-(1,2,4-oxadiazol-3-ylmethyl)pentan-3-amine (PubChem CID 106392566) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is N-(1,2,4-oxadiazol-3-ylmethyl)pentan-3-amine.

Molecular Properties

Compound NameN-(1,2,4-oxadiazol-3-ylmethyl)pentan-3-amine
PubChem CID106392566
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC NameN-(1,2,4-oxadiazol-3-ylmethyl)pentan-3-amine
SMILESCCC(CC)NCc1ncon1
InChIInChI=1S/C8H15N3O/c1-3-7(4-2)9-5-8-10-6-12-11-8/h6-7,9H,3-5H2,1-2H3
InChIKeyIZSSIMQONJCNKB-UHFFFAOYSA-N
XLogP1.35
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,2,4-oxadiazol-3-ylmethyl)pentan-3-amine?
The IUPAC name of N-(1,2,4-oxadiazol-3-ylmethyl)pentan-3-amine (CID 106392566) is N-(1,2,4-oxadiazol-3-ylmethyl)pentan-3-amine.
What is the SMILES notation for N-(1,2,4-oxadiazol-3-ylmethyl)pentan-3-amine?
The canonical SMILES for N-(1,2,4-oxadiazol-3-ylmethyl)pentan-3-amine is CCC(CC)NCc1ncon1.
What is the InChIKey of N-(1,2,4-oxadiazol-3-ylmethyl)pentan-3-amine?
The InChIKey is IZSSIMQONJCNKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-3-7(4-2)9-5-8-10-6-12-11-8/h6-7,9H,3-5H2,1-2H3.
What are the key properties of N-(1,2,4-oxadiazol-3-ylmethyl)pentan-3-amine?
N-(1,2,4-oxadiazol-3-ylmethyl)pentan-3-amine has a molecular weight of 169.23 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,4-oxadiazol-3-ylmethyl)pentan-3-amine is sourced from PubChem (CID 106392566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).