N-methyl-1-(4-propylthiadiazol-5-yl)nonan-1-amine

C15H29N3S — CID 105127772

IUPACN-methyl-1-(4-propylthiadiazol-5-yl)nonan-1-amine
SMILESCCCCCCCCC(NC)c1snnc1CCC
InChIInChI=1S/C15H29N3S/c1-4-6-7-8-9-10-12-13(16-3)15-14(11-5-2)17-18-19-15/h13,16H,4-12H2,1-3H3
InChIKeyWHRZTUQWMAECJH-UHFFFAOYSA-N
MW283.48 g/mol
LogP4.50
Rot. Bonds11

About N-methyl-1-(4-propylthiadiazol-5-yl)nonan-1-amine

N-methyl-1-(4-propylthiadiazol-5-yl)nonan-1-amine (PubChem CID 105127772) has the molecular formula C15H29N3S and a molecular weight of 283.48 g/mol. Its IUPAC name is N-methyl-1-(4-propylthiadiazol-5-yl)nonan-1-amine.

Molecular Properties

Compound NameN-methyl-1-(4-propylthiadiazol-5-yl)nonan-1-amine
PubChem CID105127772
Molecular FormulaC15H29N3S
Molecular Weight283.48 g/mol
Exact Mass283.21
IUPAC NameN-methyl-1-(4-propylthiadiazol-5-yl)nonan-1-amine
SMILESCCCCCCCCC(NC)c1snnc1CCC
InChIInChI=1S/C15H29N3S/c1-4-6-7-8-9-10-12-13(16-3)15-14(11-5-2)17-18-19-15/h13,16H,4-12H2,1-3H3
InChIKeyWHRZTUQWMAECJH-UHFFFAOYSA-N
XLogP4.50
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.48
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5,5,5-trifluoro-N-methyl-1-(4-propylthiadiazol-5-yl)pentan-1-amine
CID 105174246
N-methyl-1-(4-methylthiadiazol-5-yl)hexan-1-amine
CID 105129659
1-(4-ethylthiadiazol-5-yl)octylhydrazine
CID 105293632
1-(4-ethylthiadiazol-5-yl)-N-propyldecan-1-amine
CID 105124534
2-(4-ethylphenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)ethanamine
CID 105101333
1-(4-tert-butylthiadiazol-5-yl)-N-methylpentan-1-amine
CID 105125643
N-ethyl-4-methylsulfonyl-1-(4-propylthiadiazol-5-yl)butan-1-amine
CID 105112917
5,5,5-trifluoro-N-propyl-1-(4-propylthiadiazol-5-yl)pentan-1-amine
CID 105174390
N-methyl-1-(thiadiazol-5-yl)decan-1-amine
CID 105124492
1-(4-propan-2-ylthiadiazol-5-yl)-N-propylheptan-1-amine
CID 105126200
[4-phenyl-1-(4-propylthiadiazol-5-yl)butyl]hydrazine
CID 105299779
2-(furan-3-yl)-N-methyl-1-(4-propylthiadiazol-5-yl)ethanamine
CID 105177552

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-propylthiadiazol-5-yl)nonan-1-amine?
The IUPAC name of N-methyl-1-(4-propylthiadiazol-5-yl)nonan-1-amine (CID 105127772) is N-methyl-1-(4-propylthiadiazol-5-yl)nonan-1-amine.
What is the SMILES notation for N-methyl-1-(4-propylthiadiazol-5-yl)nonan-1-amine?
The canonical SMILES for N-methyl-1-(4-propylthiadiazol-5-yl)nonan-1-amine is CCCCCCCCC(NC)c1snnc1CCC.
What is the InChIKey of N-methyl-1-(4-propylthiadiazol-5-yl)nonan-1-amine?
The InChIKey is WHRZTUQWMAECJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3S/c1-4-6-7-8-9-10-12-13(16-3)15-14(11-5-2)17-18-19-15/h13,16H,4-12H2,1-3H3.
What are the key properties of N-methyl-1-(4-propylthiadiazol-5-yl)nonan-1-amine?
N-methyl-1-(4-propylthiadiazol-5-yl)nonan-1-amine has a molecular weight of 283.48 g/mol, XLogP of 4.50, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-propylthiadiazol-5-yl)nonan-1-amine is sourced from PubChem (CID 105127772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).