N-methyl-1-(4-methylthiadiazol-5-yl)hexan-1-amine

C10H19N3S — CID 105129659

IUPACN-methyl-1-(4-methylthiadiazol-5-yl)hexan-1-amine
SMILESCCCCCC(NC)c1snnc1C
InChIInChI=1S/C10H19N3S/c1-4-5-6-7-9(11-3)10-8(2)12-13-14-10/h9,11H,4-7H2,1-3H3
InChIKeySJBRSPYHFLJPBC-UHFFFAOYSA-N
MW213.35 g/mol
LogP2.69
Rot. Bonds6

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

N-methyl-1-(4-methylthiadiazol-5-yl)hexan-1-amine (PubChem CID 105129659) has the molecular formula C10H19N3S and a molecular weight of 213.35 g/mol. Its IUPAC name is N-methyl-1-(4-methylthiadiazol-5-yl)hexan-1-amine.

Molecular Properties

Compound NameN-methyl-1-(4-methylthiadiazol-5-yl)hexan-1-amine
PubChem CID105129659
Molecular FormulaC10H19N3S
Molecular Weight213.35 g/mol
Exact Mass213.13
IUPAC NameN-methyl-1-(4-methylthiadiazol-5-yl)hexan-1-amine
SMILESCCCCCC(NC)c1snnc1C
InChIInChI=1S/C10H19N3S/c1-4-5-6-7-9(11-3)10-8(2)12-13-14-10/h9,11H,4-7H2,1-3H3
InChIKeySJBRSPYHFLJPBC-UHFFFAOYSA-N
XLogP2.69
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 52.69
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

N-methyl-1-(4-propylthiadiazol-5-yl)nonan-1-amine
CID 105127772
4,4,4-trifluoro-N-methyl-1-(4-methylthiadiazol-5-yl)butan-1-amine
CID 105156351
N-methyl-1-(4-methylthiadiazol-5-yl)pent-4-en-1-amine
CID 105153409
N-methyl-1-(4-methylthiadiazol-5-yl)-3-phenylpropan-1-amine
CID 105094073
1-(4-tert-butylthiadiazol-5-yl)-N-methylpentan-1-amine
CID 105125643
N-methyl-1-(4-methyl-1,3-thiazol-5-yl)undecan-1-amine
CID 105138249
N-methyl-1-(4-methylthiadiazol-5-yl)-3-thiophen-2-ylpropan-1-amine
CID 105150256
1-(4-propan-2-ylthiadiazol-5-yl)-N-propylheptan-1-amine
CID 105126200
N-methyl-1-(4-methylthiadiazol-5-yl)-2-(1,3-thiazol-5-yl)ethanamine
CID 105177948
N-methyl-1-(thiadiazol-5-yl)decan-1-amine
CID 105124492
5,5,5-trifluoro-N-methyl-1-(4-propylthiadiazol-5-yl)pentan-1-amine
CID 105174246
1-(4-ethylthiadiazol-5-yl)octylhydrazine
CID 105293632

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methylthiadiazol-5-yl)hexan-1-amine?
The IUPAC name of N-methyl-1-(4-methylthiadiazol-5-yl)hexan-1-amine (CID 105129659) is N-methyl-1-(4-methylthiadiazol-5-yl)hexan-1-amine.
What is the SMILES notation for N-methyl-1-(4-methylthiadiazol-5-yl)hexan-1-amine?
The canonical SMILES for N-methyl-1-(4-methylthiadiazol-5-yl)hexan-1-amine is CCCCCC(NC)c1snnc1C.
What is the InChIKey of N-methyl-1-(4-methylthiadiazol-5-yl)hexan-1-amine?
The InChIKey is SJBRSPYHFLJPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S/c1-4-5-6-7-9(11-3)10-8(2)12-13-14-10/h9,11H,4-7H2,1-3H3.
What are the key properties of N-methyl-1-(4-methylthiadiazol-5-yl)hexan-1-amine?
N-methyl-1-(4-methylthiadiazol-5-yl)hexan-1-amine has a molecular weight of 213.35 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methylthiadiazol-5-yl)hexan-1-amine is sourced from PubChem (CID 105129659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).