4-methoxy-4-methyl-1-(4-methylthiadiazol-5-yl)pentan-1-amine

C10H19N3OS — CID 103031517

IUPAC4-methoxy-4-methyl-1-(4-methylthiadiazol-5-yl)pentan-1-amine
SMILESCOC(C)(C)CCC(N)c1snnc1C
InChIInChI=1S/C10H19N3OS/c1-7-9(15-13-12-7)8(11)5-6-10(2,3)14-4/h8H,5-6,11H2,1-4H3
InChIKeyVQEMJZROCMQXEY-UHFFFAOYSA-N
MW229.35 g/mol
LogP2.05
Rot. Bonds5

About 4-methoxy-4-methyl-1-(4-methylthiadiazol-5-yl)pentan-1-amine

4-methoxy-4-methyl-1-(4-methylthiadiazol-5-yl)pentan-1-amine (PubChem CID 103031517) has the molecular formula C10H19N3OS and a molecular weight of 229.35 g/mol. Its IUPAC name is 4-methoxy-4-methyl-1-(4-methylthiadiazol-5-yl)pentan-1-amine.

Molecular Properties

Compound Name4-methoxy-4-methyl-1-(4-methylthiadiazol-5-yl)pentan-1-amine
PubChem CID103031517
Molecular FormulaC10H19N3OS
Molecular Weight229.35 g/mol
Exact Mass229.12
IUPAC Name4-methoxy-4-methyl-1-(4-methylthiadiazol-5-yl)pentan-1-amine
SMILESCOC(C)(C)CCC(N)c1snnc1C
InChIInChI=1S/C10H19N3OS/c1-7-9(15-13-12-7)8(11)5-6-10(2,3)14-4/h8H,5-6,11H2,1-4H3
InChIKeyVQEMJZROCMQXEY-UHFFFAOYSA-N
XLogP2.05
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-methyl-1-(4-methylthiadiazol-5-yl)pentan-1-amine?
The IUPAC name of 4-methoxy-4-methyl-1-(4-methylthiadiazol-5-yl)pentan-1-amine (CID 103031517) is 4-methoxy-4-methyl-1-(4-methylthiadiazol-5-yl)pentan-1-amine.
What is the SMILES notation for 4-methoxy-4-methyl-1-(4-methylthiadiazol-5-yl)pentan-1-amine?
The canonical SMILES for 4-methoxy-4-methyl-1-(4-methylthiadiazol-5-yl)pentan-1-amine is COC(C)(C)CCC(N)c1snnc1C.
What is the InChIKey of 4-methoxy-4-methyl-1-(4-methylthiadiazol-5-yl)pentan-1-amine?
The InChIKey is VQEMJZROCMQXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3OS/c1-7-9(15-13-12-7)8(11)5-6-10(2,3)14-4/h8H,5-6,11H2,1-4H3.
What are the key properties of 4-methoxy-4-methyl-1-(4-methylthiadiazol-5-yl)pentan-1-amine?
4-methoxy-4-methyl-1-(4-methylthiadiazol-5-yl)pentan-1-amine has a molecular weight of 229.35 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-methyl-1-(4-methylthiadiazol-5-yl)pentan-1-amine is sourced from PubChem (CID 103031517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).