N-tert-butyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-amine

C11H21N3O — CID 59777384

IUPACN-tert-butyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-amine
SMILESCCCC(NC(C)(C)C)c1nc(C)no1
InChIInChI=1S/C11H21N3O/c1-6-7-9(13-11(3,4)5)10-12-8(2)14-15-10/h9,13H,6-7H2,1-5H3
InChIKeyLRIMCUPSFJWTMR-UHFFFAOYSA-N
MW211.31 g/mol
LogP2.61
Rot. Bonds4

About N-tert-butyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-amine

N-tert-butyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-amine (PubChem CID 59777384) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is N-tert-butyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-amine
PubChem CID59777384
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC NameN-tert-butyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-amine
SMILESCCCC(NC(C)(C)C)c1nc(C)no1
InChIInChI=1S/C11H21N3O/c1-6-7-9(13-11(3,4)5)10-12-8(2)14-15-10/h9,13H,6-7H2,1-5H3
InChIKeyLRIMCUPSFJWTMR-UHFFFAOYSA-N
XLogP2.61
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-amine?
The IUPAC name of N-tert-butyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-amine (CID 59777384) is N-tert-butyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-amine.
What is the SMILES notation for N-tert-butyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-amine?
The canonical SMILES for N-tert-butyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-amine is CCCC(NC(C)(C)C)c1nc(C)no1.
What is the InChIKey of N-tert-butyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-amine?
The InChIKey is LRIMCUPSFJWTMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-6-7-9(13-11(3,4)5)10-12-8(2)14-15-10/h9,13H,6-7H2,1-5H3.
What are the key properties of N-tert-butyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-amine?
N-tert-butyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-amine has a molecular weight of 211.31 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-amine is sourced from PubChem (CID 59777384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).