N-methyl-2-[(5-prop-2-enyl-1,2,4-oxadiazol-3-yl)methyl]butan-1-amine;molecular hydrogen

C11H21N3O — CID 170957230

IUPACN-methyl-2-[(5-prop-2-enyl-1,2,4-oxadiazol-3-yl)methyl]butan-1-amine;molecular hydrogen
SMILESC=CCc1nc(CC(CC)CNC)no1.[H][H]
InChIInChI=1S/C11H19N3O.H2/c1-4-6-11-13-10(14-15-11)7-9(5-2)8-12-3;/h4,9,12H,1,5-8H2,2-3H3;1H
InChIKeyDBVIRBQECXVHEM-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.83
Rot. Bonds7

About N-methyl-2-[(5-prop-2-enyl-1,2,4-oxadiazol-3-yl)methyl]butan-1-amine;molecular hydrogen

N-methyl-2-[(5-prop-2-enyl-1,2,4-oxadiazol-3-yl)methyl]butan-1-amine;molecular hydrogen (PubChem CID 170957230) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is N-methyl-2-[(5-prop-2-enyl-1,2,4-oxadiazol-3-yl)methyl]butan-1-amine;molecular hydrogen.

Molecular Properties

Compound NameN-methyl-2-[(5-prop-2-enyl-1,2,4-oxadiazol-3-yl)methyl]butan-1-amine;molecular hydrogen
PubChem CID170957230
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC NameN-methyl-2-[(5-prop-2-enyl-1,2,4-oxadiazol-3-yl)methyl]butan-1-amine;molecular hydrogen
SMILESC=CCc1nc(CC(CC)CNC)no1.[H][H]
InChIInChI=1S/C11H19N3O.H2/c1-4-6-11-13-10(14-15-11)7-9(5-2)8-12-3;/h4,9,12H,1,5-8H2,2-3H3;1H
InChIKeyDBVIRBQECXVHEM-UHFFFAOYSA-N
XLogP1.83
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-methyl-2-[(5-prop-2-enyl-1,2,4-oxadiazol-3-yl)methyl]butan-1-amine;molecular hydrogen with MolForge

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Related Compounds

5-[5-(2-Fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]hept-6-en-1-amine
CID 155064365
4-[5-(Propan-2-yl)-1,2,4-oxadiazol-3-yl]piperidine
CID 45934301
5-Tert-butyl-3-piperidin-4-yl-1,2,4-oxadiazole
CID 63014852
5-Isopropyl-3-(piperidin-4-yl)-1,2,4-oxadiazole hydrochloride
CID 66686223
Ethane;5-methyl-3-piperidin-4-yl-1,2,4-oxadiazole
CID 91027170
N-methyl-2-[5-(3-methylidenecyclobutyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 91076255
N,3-dimethyl-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)butan-2-amine
CID 123611608
3-ethyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]hex-5-en-1-amine
CID 134232479
N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-3-ethylhex-5-en-1-amine
CID 134232484
3-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]hex-5-en-1-amine
CID 134232604
N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-ethylhex-5-en-1-amine
CID 134232621
Methyl-(3-methylpentyl)-[(5-prop-1-en-2-yl-1,2,4-oxadiazol-3-yl)methyl]azanium
CID 144299928

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(5-prop-2-enyl-1,2,4-oxadiazol-3-yl)methyl]butan-1-amine;molecular hydrogen?
The IUPAC name of N-methyl-2-[(5-prop-2-enyl-1,2,4-oxadiazol-3-yl)methyl]butan-1-amine;molecular hydrogen (CID 170957230) is N-methyl-2-[(5-prop-2-enyl-1,2,4-oxadiazol-3-yl)methyl]butan-1-amine;molecular hydrogen.
What is the SMILES notation for N-methyl-2-[(5-prop-2-enyl-1,2,4-oxadiazol-3-yl)methyl]butan-1-amine;molecular hydrogen?
The canonical SMILES for N-methyl-2-[(5-prop-2-enyl-1,2,4-oxadiazol-3-yl)methyl]butan-1-amine;molecular hydrogen is C=CCc1nc(CC(CC)CNC)no1.[H][H].
What is the InChIKey of N-methyl-2-[(5-prop-2-enyl-1,2,4-oxadiazol-3-yl)methyl]butan-1-amine;molecular hydrogen?
The InChIKey is DBVIRBQECXVHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O.H2/c1-4-6-11-13-10(14-15-11)7-9(5-2)8-12-3;/h4,9,12H,1,5-8H2,2-3H3;1H.
What are the key properties of N-methyl-2-[(5-prop-2-enyl-1,2,4-oxadiazol-3-yl)methyl]butan-1-amine;molecular hydrogen?
N-methyl-2-[(5-prop-2-enyl-1,2,4-oxadiazol-3-yl)methyl]butan-1-amine;molecular hydrogen has a molecular weight of 211.31 g/mol, XLogP of 1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(5-prop-2-enyl-1,2,4-oxadiazol-3-yl)methyl]butan-1-amine;molecular hydrogen is sourced from PubChem (CID 170957230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).