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

C10H17N3O — CID 123202788

IUPACN-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)hex-4-en-1-amine
SMILESCNCCCC=C(C)c1nc(C)no1
InChIInChI=1S/C10H17N3O/c1-8(6-4-5-7-11-3)10-12-9(2)13-14-10/h6,11H,4-5,7H2,1-3H3
InChIKeyLNVQWGGIBNLKQF-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.78
Rot. Bonds5

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

N-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)hex-4-en-1-amine (PubChem CID 123202788) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is N-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)hex-4-en-1-amine.

Molecular Properties

Compound NameN-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)hex-4-en-1-amine
PubChem CID123202788
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC NameN-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)hex-4-en-1-amine
SMILESCNCCCC=C(C)c1nc(C)no1
InChIInChI=1S/C10H17N3O/c1-8(6-4-5-7-11-3)10-12-9(2)13-14-10/h6,11H,4-5,7H2,1-3H3
InChIKeyLNVQWGGIBNLKQF-UHFFFAOYSA-N
XLogP1.78
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.78
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 N-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)hex-4-en-1-amine?
The IUPAC name of N-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)hex-4-en-1-amine (CID 123202788) is N-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)hex-4-en-1-amine.
What is the SMILES notation for N-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)hex-4-en-1-amine?
The canonical SMILES for N-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)hex-4-en-1-amine is CNCCCC=C(C)c1nc(C)no1.
What is the InChIKey of N-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)hex-4-en-1-amine?
The InChIKey is LNVQWGGIBNLKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-8(6-4-5-7-11-3)10-12-9(2)13-14-10/h6,11H,4-5,7H2,1-3H3.
What are the key properties of N-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)hex-4-en-1-amine?
N-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)hex-4-en-1-amine has a molecular weight of 195.27 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)hex-4-en-1-amine is sourced from PubChem (CID 123202788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).