4-methyl-1-(4-methylthiadiazol-5-yl)-N-propylpent-4-en-1-amine

C12H21N3S — CID 105182615

IUPAC4-methyl-1-(4-methylthiadiazol-5-yl)-N-propylpent-4-en-1-amine
SMILESC=C(C)CCC(NCCC)c1snnc1C
InChIInChI=1S/C12H21N3S/c1-5-8-13-11(7-6-9(2)3)12-10(4)14-15-16-12/h11,13H,2,5-8H2,1,3-4H3
InChIKeyAHVMEIHXCIAZOF-UHFFFAOYSA-N
MW239.39 g/mol
LogP3.24
Rot. Bonds7

About 4-methyl-1-(4-methylthiadiazol-5-yl)-N-propylpent-4-en-1-amine

4-methyl-1-(4-methylthiadiazol-5-yl)-N-propylpent-4-en-1-amine (PubChem CID 105182615) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is 4-methyl-1-(4-methylthiadiazol-5-yl)-N-propylpent-4-en-1-amine.

Molecular Properties

Compound Name4-methyl-1-(4-methylthiadiazol-5-yl)-N-propylpent-4-en-1-amine
PubChem CID105182615
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name4-methyl-1-(4-methylthiadiazol-5-yl)-N-propylpent-4-en-1-amine
SMILESC=C(C)CCC(NCCC)c1snnc1C
InChIInChI=1S/C12H21N3S/c1-5-8-13-11(7-6-9(2)3)12-10(4)14-15-16-12/h11,13H,2,5-8H2,1,3-4H3
InChIKeyAHVMEIHXCIAZOF-UHFFFAOYSA-N
XLogP3.24
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(3-bromothiophen-2-yl)-4-methyl-N-propylpent-4-en-1-amine
CID 105039383
1-(4-methylthiadiazol-5-yl)-N-propylprop-2-yn-1-amine
CID 105158343
N-ethyl-1-(4-methylthiadiazol-5-yl)pent-4-en-1-amine
CID 105153417
1-(2,5-dimethylphenyl)-4-methyl-N-propylpent-4-en-1-amine
CID 105039435
1-(4-propan-2-ylthiadiazol-5-yl)-N-propylbutan-1-amine
CID 105080416
1-(3-fluoro-5-methylphenyl)-4-methyl-N-propylpent-4-en-1-amine
CID 114475635
1-(3,4-dichlorophenyl)-4-methyl-N-propylpent-4-en-1-amine
CID 114475621
1-(2,6-difluoro-3-methylphenyl)-4-methyl-N-propylpent-4-en-1-amine
CID 105039592
1-(4-iodophenyl)-4-methyl-N-propylpent-4-en-1-amine
CID 105039748
N-[2-(2-chloro-4-fluorophenyl)-1-(4-methylthiadiazol-5-yl)ethyl]propan-1-amine
CID 105133333
N-methyl-1-(4-methylthiadiazol-5-yl)hexan-1-amine
CID 105129659
4-methyl-1-(1-methylpyrazol-3-yl)-N-propylpent-4-en-1-amine
CID 114474920

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(4-methylthiadiazol-5-yl)-N-propylpent-4-en-1-amine?
The IUPAC name of 4-methyl-1-(4-methylthiadiazol-5-yl)-N-propylpent-4-en-1-amine (CID 105182615) is 4-methyl-1-(4-methylthiadiazol-5-yl)-N-propylpent-4-en-1-amine.
What is the SMILES notation for 4-methyl-1-(4-methylthiadiazol-5-yl)-N-propylpent-4-en-1-amine?
The canonical SMILES for 4-methyl-1-(4-methylthiadiazol-5-yl)-N-propylpent-4-en-1-amine is C=C(C)CCC(NCCC)c1snnc1C.
What is the InChIKey of 4-methyl-1-(4-methylthiadiazol-5-yl)-N-propylpent-4-en-1-amine?
The InChIKey is AHVMEIHXCIAZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-5-8-13-11(7-6-9(2)3)12-10(4)14-15-16-12/h11,13H,2,5-8H2,1,3-4H3.
What are the key properties of 4-methyl-1-(4-methylthiadiazol-5-yl)-N-propylpent-4-en-1-amine?
4-methyl-1-(4-methylthiadiazol-5-yl)-N-propylpent-4-en-1-amine has a molecular weight of 239.39 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(4-methylthiadiazol-5-yl)-N-propylpent-4-en-1-amine is sourced from PubChem (CID 105182615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).