4-methoxy-4-methyl-N-propyl-1-(4-propylthiadiazol-5-yl)pentan-1-amine

C15H29N3OS — CID 103031757

IUPAC4-methoxy-4-methyl-N-propyl-1-(4-propylthiadiazol-5-yl)pentan-1-amine
SMILESCCCNC(CCC(C)(C)OC)c1snnc1CCC
InChIInChI=1S/C15H29N3OS/c1-6-8-13-14(20-18-17-13)12(16-11-7-2)9-10-15(3,4)19-5/h12,16H,6-11H2,1-5H3
InChIKeyOQCWVFSAMGMZMD-UHFFFAOYSA-N
MW299.48 g/mol
LogP3.74
Rot. Bonds10

About 4-methoxy-4-methyl-N-propyl-1-(4-propylthiadiazol-5-yl)pentan-1-amine

4-methoxy-4-methyl-N-propyl-1-(4-propylthiadiazol-5-yl)pentan-1-amine (PubChem CID 103031757) has the molecular formula C15H29N3OS and a molecular weight of 299.48 g/mol. Its IUPAC name is 4-methoxy-4-methyl-N-propyl-1-(4-propylthiadiazol-5-yl)pentan-1-amine.

Molecular Properties

Compound Name4-methoxy-4-methyl-N-propyl-1-(4-propylthiadiazol-5-yl)pentan-1-amine
PubChem CID103031757
Molecular FormulaC15H29N3OS
Molecular Weight299.48 g/mol
Exact Mass299.20
IUPAC Name4-methoxy-4-methyl-N-propyl-1-(4-propylthiadiazol-5-yl)pentan-1-amine
SMILESCCCNC(CCC(C)(C)OC)c1snnc1CCC
InChIInChI=1S/C15H29N3OS/c1-6-8-13-14(20-18-17-13)12(16-11-7-2)9-10-15(3,4)19-5/h12,16H,6-11H2,1-5H3
InChIKeyOQCWVFSAMGMZMD-UHFFFAOYSA-N
XLogP3.74
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.48
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-methoxy-4-methyl-N-propyl-1-(4-propylthiadiazol-5-yl)pentan-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 4-methoxy-4-methyl-N-propyl-1-(4-propylthiadiazol-5-yl)pentan-1-amine?
The IUPAC name of 4-methoxy-4-methyl-N-propyl-1-(4-propylthiadiazol-5-yl)pentan-1-amine (CID 103031757) is 4-methoxy-4-methyl-N-propyl-1-(4-propylthiadiazol-5-yl)pentan-1-amine.
What is the SMILES notation for 4-methoxy-4-methyl-N-propyl-1-(4-propylthiadiazol-5-yl)pentan-1-amine?
The canonical SMILES for 4-methoxy-4-methyl-N-propyl-1-(4-propylthiadiazol-5-yl)pentan-1-amine is CCCNC(CCC(C)(C)OC)c1snnc1CCC.
What is the InChIKey of 4-methoxy-4-methyl-N-propyl-1-(4-propylthiadiazol-5-yl)pentan-1-amine?
The InChIKey is OQCWVFSAMGMZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3OS/c1-6-8-13-14(20-18-17-13)12(16-11-7-2)9-10-15(3,4)19-5/h12,16H,6-11H2,1-5H3.
What are the key properties of 4-methoxy-4-methyl-N-propyl-1-(4-propylthiadiazol-5-yl)pentan-1-amine?
4-methoxy-4-methyl-N-propyl-1-(4-propylthiadiazol-5-yl)pentan-1-amine has a molecular weight of 299.48 g/mol, XLogP of 3.74, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-methyl-N-propyl-1-(4-propylthiadiazol-5-yl)pentan-1-amine is sourced from PubChem (CID 103031757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).