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

C11H19N3O — CID 51074720

IUPACN-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-methylprop-2-en-1-amine
SMILESC=C(C)CN(CC)Cc1nnc(CC)o1
InChIInChI=1S/C11H19N3O/c1-5-10-12-13-11(15-10)8-14(6-2)7-9(3)4/h3,5-8H2,1-2,4H3
InChIKeyCIEVCLVREOFKGM-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.03
Rot. Bonds6

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

N-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-methylprop-2-en-1-amine (PubChem CID 51074720) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is N-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-methylprop-2-en-1-amine.

Molecular Properties

Compound NameN-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-methylprop-2-en-1-amine
PubChem CID51074720
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC NameN-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-methylprop-2-en-1-amine
SMILESC=C(C)CN(CC)Cc1nnc(CC)o1
InChIInChI=1S/C11H19N3O/c1-5-10-12-13-11(15-10)8-14(6-2)7-9(3)4/h3,5-8H2,1-2,4H3
InChIKeyCIEVCLVREOFKGM-UHFFFAOYSA-N
XLogP2.03
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.03
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-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-methylprop-2-en-1-amine?
The IUPAC name of N-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-methylprop-2-en-1-amine (CID 51074720) is N-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-methylprop-2-en-1-amine.
What is the SMILES notation for N-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-methylprop-2-en-1-amine?
The canonical SMILES for N-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-methylprop-2-en-1-amine is C=C(C)CN(CC)Cc1nnc(CC)o1.
What is the InChIKey of N-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-methylprop-2-en-1-amine?
The InChIKey is CIEVCLVREOFKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-5-10-12-13-11(15-10)8-14(6-2)7-9(3)4/h3,5-8H2,1-2,4H3.
What are the key properties of N-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-methylprop-2-en-1-amine?
N-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-methylprop-2-en-1-amine has a molecular weight of 209.29 g/mol, XLogP of 2.03, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-methylprop-2-en-1-amine is sourced from PubChem (CID 51074720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).