3-[5-(2,2-dimethylcyclopropyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine

C12H21N3O — CID 107003036

IUPAC3-[5-(2,2-dimethylcyclopropyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine
SMILESCCNCCCc1nnc(C2CC2(C)C)o1
InChIInChI=1S/C12H21N3O/c1-4-13-7-5-6-10-14-15-11(16-10)9-8-12(9,2)3/h9,13H,4-8H2,1-3H3
InChIKeyYVAPWRBVNWYUKU-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.13
Rot. Bonds6

About 3-[5-(2,2-dimethylcyclopropyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine

3-[5-(2,2-dimethylcyclopropyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine (PubChem CID 107003036) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-[5-(2,2-dimethylcyclopropyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine.

Molecular Properties

Compound Name3-[5-(2,2-dimethylcyclopropyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine
PubChem CID107003036
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name3-[5-(2,2-dimethylcyclopropyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine
SMILESCCNCCCc1nnc(C2CC2(C)C)o1
InChIInChI=1S/C12H21N3O/c1-4-13-7-5-6-10-14-15-11(16-10)9-8-12(9,2)3/h9,13H,4-8H2,1-3H3
InChIKeyYVAPWRBVNWYUKU-UHFFFAOYSA-N
XLogP2.13
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[5-(2,2-dimethylcyclopropyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,2-dimethylcyclopropyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine?
The IUPAC name of 3-[5-(2,2-dimethylcyclopropyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine (CID 107003036) is 3-[5-(2,2-dimethylcyclopropyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine.
What is the SMILES notation for 3-[5-(2,2-dimethylcyclopropyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine?
The canonical SMILES for 3-[5-(2,2-dimethylcyclopropyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine is CCNCCCc1nnc(C2CC2(C)C)o1.
What is the InChIKey of 3-[5-(2,2-dimethylcyclopropyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine?
The InChIKey is YVAPWRBVNWYUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-4-13-7-5-6-10-14-15-11(16-10)9-8-12(9,2)3/h9,13H,4-8H2,1-3H3.
What are the key properties of 3-[5-(2,2-dimethylcyclopropyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine?
3-[5-(2,2-dimethylcyclopropyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine has a molecular weight of 223.32 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,2-dimethylcyclopropyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine is sourced from PubChem (CID 107003036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).