N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-N-ethyl-2-methylprop-2-en-1-amine

C13H23N3O — CID 51078453

IUPACN-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-N-ethyl-2-methylprop-2-en-1-amine
SMILESC=C(C)CN(CC)Cc1nnc(C(C)(C)C)o1
InChIInChI=1S/C13H23N3O/c1-7-16(8-10(2)3)9-11-14-15-12(17-11)13(4,5)6/h2,7-9H2,1,3-6H3
InChIKeyKAQQZOJAJZVZRK-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.77
Rot. Bonds5

About N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-N-ethyl-2-methylprop-2-en-1-amine

N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-N-ethyl-2-methylprop-2-en-1-amine (PubChem CID 51078453) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-N-ethyl-2-methylprop-2-en-1-amine.

Molecular Properties

Compound NameN-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-N-ethyl-2-methylprop-2-en-1-amine
PubChem CID51078453
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-N-ethyl-2-methylprop-2-en-1-amine
SMILESC=C(C)CN(CC)Cc1nnc(C(C)(C)C)o1
InChIInChI=1S/C13H23N3O/c1-7-16(8-10(2)3)9-11-14-15-12(17-11)13(4,5)6/h2,7-9H2,1,3-6H3
InChIKeyKAQQZOJAJZVZRK-UHFFFAOYSA-N
XLogP2.77
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.77
H-Bond Donors ≤ 50
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-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-N-ethyl-2-methylprop-2-en-1-amine?
The IUPAC name of N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-N-ethyl-2-methylprop-2-en-1-amine (CID 51078453) is N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-N-ethyl-2-methylprop-2-en-1-amine.
What is the SMILES notation for N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-N-ethyl-2-methylprop-2-en-1-amine?
The canonical SMILES for N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-N-ethyl-2-methylprop-2-en-1-amine is C=C(C)CN(CC)Cc1nnc(C(C)(C)C)o1.
What is the InChIKey of N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-N-ethyl-2-methylprop-2-en-1-amine?
The InChIKey is KAQQZOJAJZVZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-7-16(8-10(2)3)9-11-14-15-12(17-11)13(4,5)6/h2,7-9H2,1,3-6H3.
What are the key properties of N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-N-ethyl-2-methylprop-2-en-1-amine?
N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-N-ethyl-2-methylprop-2-en-1-amine has a molecular weight of 237.35 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-N-ethyl-2-methylprop-2-en-1-amine is sourced from PubChem (CID 51078453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).