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

C12H19N3O — CID 51077057

IUPACN-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-ethyl-2-methylprop-2-en-1-amine
SMILESC=C(C)CN(CC)Cc1nc(C2CC2)no1
InChIInChI=1S/C12H19N3O/c1-4-15(7-9(2)3)8-11-13-12(14-16-11)10-5-6-10/h10H,2,4-8H2,1,3H3
InChIKeyKTQMCWYQYXSPME-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.35
Rot. Bonds6

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

N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-ethyl-2-methylprop-2-en-1-amine (PubChem CID 51077057) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-ethyl-2-methylprop-2-en-1-amine.

Molecular Properties

Compound NameN-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-ethyl-2-methylprop-2-en-1-amine
PubChem CID51077057
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC NameN-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-ethyl-2-methylprop-2-en-1-amine
SMILESC=C(C)CN(CC)Cc1nc(C2CC2)no1
InChIInChI=1S/C12H19N3O/c1-4-15(7-9(2)3)8-11-13-12(14-16-11)10-5-6-10/h10H,2,4-8H2,1,3H3
InChIKeyKTQMCWYQYXSPME-UHFFFAOYSA-N
XLogP2.35
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.35
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-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-ethyl-2-methylprop-2-en-1-amine?
The IUPAC name of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-ethyl-2-methylprop-2-en-1-amine (CID 51077057) is N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-ethyl-2-methylprop-2-en-1-amine.
What is the SMILES notation for N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-ethyl-2-methylprop-2-en-1-amine?
The canonical SMILES for N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-ethyl-2-methylprop-2-en-1-amine is C=C(C)CN(CC)Cc1nc(C2CC2)no1.
What is the InChIKey of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-ethyl-2-methylprop-2-en-1-amine?
The InChIKey is KTQMCWYQYXSPME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-4-15(7-9(2)3)8-11-13-12(14-16-11)10-5-6-10/h10H,2,4-8H2,1,3H3.
What are the key properties of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-ethyl-2-methylprop-2-en-1-amine?
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-ethyl-2-methylprop-2-en-1-amine has a molecular weight of 221.30 g/mol, XLogP of 2.35, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-ethyl-2-methylprop-2-en-1-amine is sourced from PubChem (CID 51077057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).