4-methoxy-4-methyl-1-(4-propan-2-ylthiadiazol-5-yl)-N-propylpentan-1-amine

C15H29N3OS — CID 103031248

IUPAC4-methoxy-4-methyl-1-(4-propan-2-ylthiadiazol-5-yl)-N-propylpentan-1-amine
SMILESCCCNC(CCC(C)(C)OC)c1snnc1C(C)C
InChIInChI=1S/C15H29N3OS/c1-7-10-16-12(8-9-15(4,5)19-6)14-13(11(2)3)17-18-20-14/h11-12,16H,7-10H2,1-6H3
InChIKeyHTNKALQIVLZUGQ-UHFFFAOYSA-N
MW299.48 g/mol
LogP3.91
Rot. Bonds9

About 4-methoxy-4-methyl-1-(4-propan-2-ylthiadiazol-5-yl)-N-propylpentan-1-amine

4-methoxy-4-methyl-1-(4-propan-2-ylthiadiazol-5-yl)-N-propylpentan-1-amine (PubChem CID 103031248) has the molecular formula C15H29N3OS and a molecular weight of 299.48 g/mol. Its IUPAC name is 4-methoxy-4-methyl-1-(4-propan-2-ylthiadiazol-5-yl)-N-propylpentan-1-amine.

Molecular Properties

Compound Name4-methoxy-4-methyl-1-(4-propan-2-ylthiadiazol-5-yl)-N-propylpentan-1-amine
PubChem CID103031248
Molecular FormulaC15H29N3OS
Molecular Weight299.48 g/mol
Exact Mass299.20
IUPAC Name4-methoxy-4-methyl-1-(4-propan-2-ylthiadiazol-5-yl)-N-propylpentan-1-amine
SMILESCCCNC(CCC(C)(C)OC)c1snnc1C(C)C
InChIInChI=1S/C15H29N3OS/c1-7-10-16-12(8-9-15(4,5)19-6)14-13(11(2)3)17-18-20-14/h11-12,16H,7-10H2,1-6H3
InChIKeyHTNKALQIVLZUGQ-UHFFFAOYSA-N
XLogP3.91
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.48
LogP ≤ 53.91
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-propan-2-ylthiadiazol-5-yl)-N-propylpentan-1-amine?
The IUPAC name of 4-methoxy-4-methyl-1-(4-propan-2-ylthiadiazol-5-yl)-N-propylpentan-1-amine (CID 103031248) is 4-methoxy-4-methyl-1-(4-propan-2-ylthiadiazol-5-yl)-N-propylpentan-1-amine.
What is the SMILES notation for 4-methoxy-4-methyl-1-(4-propan-2-ylthiadiazol-5-yl)-N-propylpentan-1-amine?
The canonical SMILES for 4-methoxy-4-methyl-1-(4-propan-2-ylthiadiazol-5-yl)-N-propylpentan-1-amine is CCCNC(CCC(C)(C)OC)c1snnc1C(C)C.
What is the InChIKey of 4-methoxy-4-methyl-1-(4-propan-2-ylthiadiazol-5-yl)-N-propylpentan-1-amine?
The InChIKey is HTNKALQIVLZUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3OS/c1-7-10-16-12(8-9-15(4,5)19-6)14-13(11(2)3)17-18-20-14/h11-12,16H,7-10H2,1-6H3.
What are the key properties of 4-methoxy-4-methyl-1-(4-propan-2-ylthiadiazol-5-yl)-N-propylpentan-1-amine?
4-methoxy-4-methyl-1-(4-propan-2-ylthiadiazol-5-yl)-N-propylpentan-1-amine has a molecular weight of 299.48 g/mol, XLogP of 3.91, 9 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-propan-2-ylthiadiazol-5-yl)-N-propylpentan-1-amine is sourced from PubChem (CID 103031248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).