2,2-dimethyl-1-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine

C12H21N3O2 — CID 62905005

IUPAC2,2-dimethyl-1-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
SMILESCC(C)(C)C(N)c1noc(C2CCOCC2)n1
InChIInChI=1S/C12H21N3O2/c1-12(2,3)9(13)10-14-11(17-15-10)8-4-6-16-7-5-8/h8-9H,4-7,13H2,1-3H3
InChIKeyBBHNKOBSPNVJQE-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.01
Rot. Bonds2

About 2,2-dimethyl-1-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine

2,2-dimethyl-1-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine (PubChem CID 62905005) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2,2-dimethyl-1-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-1-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
PubChem CID62905005
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name2,2-dimethyl-1-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
SMILESCC(C)(C)C(N)c1noc(C2CCOCC2)n1
InChIInChI=1S/C12H21N3O2/c1-12(2,3)9(13)10-14-11(17-15-10)8-4-6-16-7-5-8/h8-9H,4-7,13H2,1-3H3
InChIKeyBBHNKOBSPNVJQE-UHFFFAOYSA-N
XLogP2.01
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,2-dimethyl-1-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]propan-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 2,2-dimethyl-1-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The IUPAC name of 2,2-dimethyl-1-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine (CID 62905005) is 2,2-dimethyl-1-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine.
What is the SMILES notation for 2,2-dimethyl-1-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The canonical SMILES for 2,2-dimethyl-1-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine is CC(C)(C)C(N)c1noc(C2CCOCC2)n1.
What is the InChIKey of 2,2-dimethyl-1-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The InChIKey is BBHNKOBSPNVJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-12(2,3)9(13)10-14-11(17-15-10)8-4-6-16-7-5-8/h8-9H,4-7,13H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
2,2-dimethyl-1-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine has a molecular weight of 239.32 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine is sourced from PubChem (CID 62905005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).