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

C9H17N3S — CID 105138486

IUPAC3-methyl-1-(4-methylthiadiazol-5-yl)pentan-1-amine
SMILESCCC(C)CC(N)c1snnc1C
InChIInChI=1S/C9H17N3S/c1-4-6(2)5-8(10)9-7(3)11-12-13-9/h6,8H,4-5,10H2,1-3H3
InChIKeyACXIPWYYHYBMQJ-UHFFFAOYSA-N
MW199.32 g/mol
LogP2.28
Rot. Bonds4

About 3-methyl-1-(4-methylthiadiazol-5-yl)pentan-1-amine

3-methyl-1-(4-methylthiadiazol-5-yl)pentan-1-amine (PubChem CID 105138486) has the molecular formula C9H17N3S and a molecular weight of 199.32 g/mol. Its IUPAC name is 3-methyl-1-(4-methylthiadiazol-5-yl)pentan-1-amine.

Molecular Properties

Compound Name3-methyl-1-(4-methylthiadiazol-5-yl)pentan-1-amine
PubChem CID105138486
Molecular FormulaC9H17N3S
Molecular Weight199.32 g/mol
Exact Mass199.11
IUPAC Name3-methyl-1-(4-methylthiadiazol-5-yl)pentan-1-amine
SMILESCCC(C)CC(N)c1snnc1C
InChIInChI=1S/C9H17N3S/c1-4-6(2)5-8(10)9-7(3)11-12-13-9/h6,8H,4-5,10H2,1-3H3
InChIKeyACXIPWYYHYBMQJ-UHFFFAOYSA-N
XLogP2.28
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(4-methylthiadiazol-5-yl)pentan-1-amine?
The IUPAC name of 3-methyl-1-(4-methylthiadiazol-5-yl)pentan-1-amine (CID 105138486) is 3-methyl-1-(4-methylthiadiazol-5-yl)pentan-1-amine.
What is the SMILES notation for 3-methyl-1-(4-methylthiadiazol-5-yl)pentan-1-amine?
The canonical SMILES for 3-methyl-1-(4-methylthiadiazol-5-yl)pentan-1-amine is CCC(C)CC(N)c1snnc1C.
What is the InChIKey of 3-methyl-1-(4-methylthiadiazol-5-yl)pentan-1-amine?
The InChIKey is ACXIPWYYHYBMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3S/c1-4-6(2)5-8(10)9-7(3)11-12-13-9/h6,8H,4-5,10H2,1-3H3.
What are the key properties of 3-methyl-1-(4-methylthiadiazol-5-yl)pentan-1-amine?
3-methyl-1-(4-methylthiadiazol-5-yl)pentan-1-amine has a molecular weight of 199.32 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(4-methylthiadiazol-5-yl)pentan-1-amine is sourced from PubChem (CID 105138486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).