N-(1,2,4-oxadiazol-3-ylmethyl)hex-5-en-2-amine

C9H15N3O — CID 106392456

IUPACN-(1,2,4-oxadiazol-3-ylmethyl)hex-5-en-2-amine
SMILESC=CCCC(C)NCc1ncon1
InChIInChI=1S/C9H15N3O/c1-3-4-5-8(2)10-6-9-11-7-13-12-9/h3,7-8,10H,1,4-6H2,2H3
InChIKeyDWNUEJPKUDTFHI-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.51
Rot. Bonds6

About N-(1,2,4-oxadiazol-3-ylmethyl)hex-5-en-2-amine

N-(1,2,4-oxadiazol-3-ylmethyl)hex-5-en-2-amine (PubChem CID 106392456) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is N-(1,2,4-oxadiazol-3-ylmethyl)hex-5-en-2-amine.

Molecular Properties

Compound NameN-(1,2,4-oxadiazol-3-ylmethyl)hex-5-en-2-amine
PubChem CID106392456
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC NameN-(1,2,4-oxadiazol-3-ylmethyl)hex-5-en-2-amine
SMILESC=CCCC(C)NCc1ncon1
InChIInChI=1S/C9H15N3O/c1-3-4-5-8(2)10-6-9-11-7-13-12-9/h3,7-8,10H,1,4-6H2,2H3
InChIKeyDWNUEJPKUDTFHI-UHFFFAOYSA-N
XLogP1.51
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1,2,4-oxadiazol-3-ylmethyl)hex-5-en-2-amine?
The IUPAC name of N-(1,2,4-oxadiazol-3-ylmethyl)hex-5-en-2-amine (CID 106392456) is N-(1,2,4-oxadiazol-3-ylmethyl)hex-5-en-2-amine.
What is the SMILES notation for N-(1,2,4-oxadiazol-3-ylmethyl)hex-5-en-2-amine?
The canonical SMILES for N-(1,2,4-oxadiazol-3-ylmethyl)hex-5-en-2-amine is C=CCCC(C)NCc1ncon1.
What is the InChIKey of N-(1,2,4-oxadiazol-3-ylmethyl)hex-5-en-2-amine?
The InChIKey is DWNUEJPKUDTFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-3-4-5-8(2)10-6-9-11-7-13-12-9/h3,7-8,10H,1,4-6H2,2H3.
What are the key properties of N-(1,2,4-oxadiazol-3-ylmethyl)hex-5-en-2-amine?
N-(1,2,4-oxadiazol-3-ylmethyl)hex-5-en-2-amine has a molecular weight of 181.24 g/mol, XLogP of 1.51, 6 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)hex-5-en-2-amine is sourced from PubChem (CID 106392456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).