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

C15H29N3OS — CID 103031407

IUPAC1-(4-tert-butylthiadiazol-5-yl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
SMILESCCNC(CCC(C)(C)OC)c1snnc1C(C)(C)C
InChIInChI=1S/C15H29N3OS/c1-8-16-11(9-10-15(5,6)19-7)12-13(14(2,3)4)17-18-20-12/h11,16H,8-10H2,1-7H3
InChIKeyGYXNQGVDEYFGIL-UHFFFAOYSA-N
MW299.48 g/mol
LogP3.69
Rot. Bonds7

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

1-(4-tert-butylthiadiazol-5-yl)-N-ethyl-4-methoxy-4-methylpentan-1-amine (PubChem CID 103031407) has the molecular formula C15H29N3OS and a molecular weight of 299.48 g/mol. Its IUPAC name is 1-(4-tert-butylthiadiazol-5-yl)-N-ethyl-4-methoxy-4-methylpentan-1-amine.

Molecular Properties

Compound Name1-(4-tert-butylthiadiazol-5-yl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
PubChem CID103031407
Molecular FormulaC15H29N3OS
Molecular Weight299.48 g/mol
Exact Mass299.20
IUPAC Name1-(4-tert-butylthiadiazol-5-yl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
SMILESCCNC(CCC(C)(C)OC)c1snnc1C(C)(C)C
InChIInChI=1S/C15H29N3OS/c1-8-16-11(9-10-15(5,6)19-7)12-13(14(2,3)4)17-18-20-12/h11,16H,8-10H2,1-7H3
InChIKeyGYXNQGVDEYFGIL-UHFFFAOYSA-N
XLogP3.69
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.48
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylthiadiazol-5-yl)-N-ethyl-4-methoxy-4-methylpentan-1-amine?
The IUPAC name of 1-(4-tert-butylthiadiazol-5-yl)-N-ethyl-4-methoxy-4-methylpentan-1-amine (CID 103031407) is 1-(4-tert-butylthiadiazol-5-yl)-N-ethyl-4-methoxy-4-methylpentan-1-amine.
What is the SMILES notation for 1-(4-tert-butylthiadiazol-5-yl)-N-ethyl-4-methoxy-4-methylpentan-1-amine?
The canonical SMILES for 1-(4-tert-butylthiadiazol-5-yl)-N-ethyl-4-methoxy-4-methylpentan-1-amine is CCNC(CCC(C)(C)OC)c1snnc1C(C)(C)C.
What is the InChIKey of 1-(4-tert-butylthiadiazol-5-yl)-N-ethyl-4-methoxy-4-methylpentan-1-amine?
The InChIKey is GYXNQGVDEYFGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3OS/c1-8-16-11(9-10-15(5,6)19-7)12-13(14(2,3)4)17-18-20-12/h11,16H,8-10H2,1-7H3.
What are the key properties of 1-(4-tert-butylthiadiazol-5-yl)-N-ethyl-4-methoxy-4-methylpentan-1-amine?
1-(4-tert-butylthiadiazol-5-yl)-N-ethyl-4-methoxy-4-methylpentan-1-amine has a molecular weight of 299.48 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylthiadiazol-5-yl)-N-ethyl-4-methoxy-4-methylpentan-1-amine is sourced from PubChem (CID 103031407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).