2,2-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)propan-1-amine

C8H15N3O — CID 106392891

IUPAC2,2-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)propan-1-amine
SMILESCC(C)(C)CNCc1ncon1
InChIInChI=1S/C8H15N3O/c1-8(2,3)5-9-4-7-10-6-12-11-7/h6,9H,4-5H2,1-3H3
InChIKeyLYZKLPYMOLEZSN-UHFFFAOYSA-N
MW169.23 g/mol
LogP1.21
Rot. Bonds3

About 2,2-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)propan-1-amine

2,2-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)propan-1-amine (PubChem CID 106392891) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 2,2-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)propan-1-amine
PubChem CID106392891
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name2,2-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)propan-1-amine
SMILESCC(C)(C)CNCc1ncon1
InChIInChI=1S/C8H15N3O/c1-8(2,3)5-9-4-7-10-6-12-11-7/h6,9H,4-5H2,1-3H3
InChIKeyLYZKLPYMOLEZSN-UHFFFAOYSA-N
XLogP1.21
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,2-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)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-N-(1,2,4-oxadiazol-3-ylmethyl)propan-1-amine?
The IUPAC name of 2,2-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)propan-1-amine (CID 106392891) is 2,2-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)propan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)propan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)propan-1-amine is CC(C)(C)CNCc1ncon1.
What is the InChIKey of 2,2-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)propan-1-amine?
The InChIKey is LYZKLPYMOLEZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-8(2,3)5-9-4-7-10-6-12-11-7/h6,9H,4-5H2,1-3H3.
What are the key properties of 2,2-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)propan-1-amine?
2,2-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)propan-1-amine has a molecular weight of 169.23 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)propan-1-amine is sourced from PubChem (CID 106392891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).