1-(4-ethylthiadiazol-5-yl)-4-methoxy-4-methyl-N-propylpentan-1-amine

C14H27N3OS — CID 103031714

IUPAC1-(4-ethylthiadiazol-5-yl)-4-methoxy-4-methyl-N-propylpentan-1-amine
SMILESCCCNC(CCC(C)(C)OC)c1snnc1CC
InChIInChI=1S/C14H27N3OS/c1-6-10-15-12(8-9-14(3,4)18-5)13-11(7-2)16-17-19-13/h12,15H,6-10H2,1-5H3
InChIKeyHBCKSTCZTYOCQL-UHFFFAOYSA-N
MW285.46 g/mol
LogP3.35
Rot. Bonds9

About 1-(4-ethylthiadiazol-5-yl)-4-methoxy-4-methyl-N-propylpentan-1-amine

1-(4-ethylthiadiazol-5-yl)-4-methoxy-4-methyl-N-propylpentan-1-amine (PubChem CID 103031714) has the molecular formula C14H27N3OS and a molecular weight of 285.46 g/mol. Its IUPAC name is 1-(4-ethylthiadiazol-5-yl)-4-methoxy-4-methyl-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(4-ethylthiadiazol-5-yl)-4-methoxy-4-methyl-N-propylpentan-1-amine
PubChem CID103031714
Molecular FormulaC14H27N3OS
Molecular Weight285.46 g/mol
Exact Mass285.19
IUPAC Name1-(4-ethylthiadiazol-5-yl)-4-methoxy-4-methyl-N-propylpentan-1-amine
SMILESCCCNC(CCC(C)(C)OC)c1snnc1CC
InChIInChI=1S/C14H27N3OS/c1-6-10-15-12(8-9-14(3,4)18-5)13-11(7-2)16-17-19-13/h12,15H,6-10H2,1-5H3
InChIKeyHBCKSTCZTYOCQL-UHFFFAOYSA-N
XLogP3.35
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.46
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylthiadiazol-5-yl)-4-methoxy-4-methyl-N-propylpentan-1-amine?
The IUPAC name of 1-(4-ethylthiadiazol-5-yl)-4-methoxy-4-methyl-N-propylpentan-1-amine (CID 103031714) is 1-(4-ethylthiadiazol-5-yl)-4-methoxy-4-methyl-N-propylpentan-1-amine.
What is the SMILES notation for 1-(4-ethylthiadiazol-5-yl)-4-methoxy-4-methyl-N-propylpentan-1-amine?
The canonical SMILES for 1-(4-ethylthiadiazol-5-yl)-4-methoxy-4-methyl-N-propylpentan-1-amine is CCCNC(CCC(C)(C)OC)c1snnc1CC.
What is the InChIKey of 1-(4-ethylthiadiazol-5-yl)-4-methoxy-4-methyl-N-propylpentan-1-amine?
The InChIKey is HBCKSTCZTYOCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3OS/c1-6-10-15-12(8-9-14(3,4)18-5)13-11(7-2)16-17-19-13/h12,15H,6-10H2,1-5H3.
What are the key properties of 1-(4-ethylthiadiazol-5-yl)-4-methoxy-4-methyl-N-propylpentan-1-amine?
1-(4-ethylthiadiazol-5-yl)-4-methoxy-4-methyl-N-propylpentan-1-amine has a molecular weight of 285.46 g/mol, XLogP of 3.35, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylthiadiazol-5-yl)-4-methoxy-4-methyl-N-propylpentan-1-amine is sourced from PubChem (CID 103031714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).