N-ethyl-1-(4-ethylthiadiazol-5-yl)-4-methoxy-4-methylpentan-1-amine

C13H25N3OS — CID 103031538

IUPACN-ethyl-1-(4-ethylthiadiazol-5-yl)-4-methoxy-4-methylpentan-1-amine
SMILESCCNC(CCC(C)(C)OC)c1snnc1CC
InChIInChI=1S/C13H25N3OS/c1-6-10-12(18-16-15-10)11(14-7-2)8-9-13(3,4)17-5/h11,14H,6-9H2,1-5H3
InChIKeyPJXDDMLNDXQFGH-UHFFFAOYSA-N
MW271.43 g/mol
LogP2.96
Rot. Bonds8

About N-ethyl-1-(4-ethylthiadiazol-5-yl)-4-methoxy-4-methylpentan-1-amine

N-ethyl-1-(4-ethylthiadiazol-5-yl)-4-methoxy-4-methylpentan-1-amine (PubChem CID 103031538) has the molecular formula C13H25N3OS and a molecular weight of 271.43 g/mol. Its IUPAC name is N-ethyl-1-(4-ethylthiadiazol-5-yl)-4-methoxy-4-methylpentan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(4-ethylthiadiazol-5-yl)-4-methoxy-4-methylpentan-1-amine
PubChem CID103031538
Molecular FormulaC13H25N3OS
Molecular Weight271.43 g/mol
Exact Mass271.17
IUPAC NameN-ethyl-1-(4-ethylthiadiazol-5-yl)-4-methoxy-4-methylpentan-1-amine
SMILESCCNC(CCC(C)(C)OC)c1snnc1CC
InChIInChI=1S/C13H25N3OS/c1-6-10-12(18-16-15-10)11(14-7-2)8-9-13(3,4)17-5/h11,14H,6-9H2,1-5H3
InChIKeyPJXDDMLNDXQFGH-UHFFFAOYSA-N
XLogP2.96
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-ethylthiadiazol-5-yl)-4-methoxy-4-methylpentan-1-amine?
The IUPAC name of N-ethyl-1-(4-ethylthiadiazol-5-yl)-4-methoxy-4-methylpentan-1-amine (CID 103031538) is N-ethyl-1-(4-ethylthiadiazol-5-yl)-4-methoxy-4-methylpentan-1-amine.
What is the SMILES notation for N-ethyl-1-(4-ethylthiadiazol-5-yl)-4-methoxy-4-methylpentan-1-amine?
The canonical SMILES for N-ethyl-1-(4-ethylthiadiazol-5-yl)-4-methoxy-4-methylpentan-1-amine is CCNC(CCC(C)(C)OC)c1snnc1CC.
What is the InChIKey of N-ethyl-1-(4-ethylthiadiazol-5-yl)-4-methoxy-4-methylpentan-1-amine?
The InChIKey is PJXDDMLNDXQFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3OS/c1-6-10-12(18-16-15-10)11(14-7-2)8-9-13(3,4)17-5/h11,14H,6-9H2,1-5H3.
What are the key properties of N-ethyl-1-(4-ethylthiadiazol-5-yl)-4-methoxy-4-methylpentan-1-amine?
N-ethyl-1-(4-ethylthiadiazol-5-yl)-4-methoxy-4-methylpentan-1-amine has a molecular weight of 271.43 g/mol, XLogP of 2.96, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-ethylthiadiazol-5-yl)-4-methoxy-4-methylpentan-1-amine is sourced from PubChem (CID 103031538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).