1-(4-tert-butylthiadiazol-5-yl)-N-propylhexan-1-amine

C15H29N3S — CID 105129802

IUPAC1-(4-tert-butylthiadiazol-5-yl)-N-propylhexan-1-amine
SMILESCCCCCC(NCCC)c1snnc1C(C)(C)C
InChIInChI=1S/C15H29N3S/c1-6-8-9-10-12(16-11-7-2)13-14(15(3,4)5)17-18-19-13/h12,16H,6-11H2,1-5H3
InChIKeyGUKASTDEHQMDKE-UHFFFAOYSA-N
MW283.48 g/mol
LogP4.46
Rot. Bonds8

About 1-(4-tert-butylthiadiazol-5-yl)-N-propylhexan-1-amine

1-(4-tert-butylthiadiazol-5-yl)-N-propylhexan-1-amine (PubChem CID 105129802) has the molecular formula C15H29N3S and a molecular weight of 283.48 g/mol. Its IUPAC name is 1-(4-tert-butylthiadiazol-5-yl)-N-propylhexan-1-amine.

Molecular Properties

Compound Name1-(4-tert-butylthiadiazol-5-yl)-N-propylhexan-1-amine
PubChem CID105129802
Molecular FormulaC15H29N3S
Molecular Weight283.48 g/mol
Exact Mass283.21
IUPAC Name1-(4-tert-butylthiadiazol-5-yl)-N-propylhexan-1-amine
SMILESCCCCCC(NCCC)c1snnc1C(C)(C)C
InChIInChI=1S/C15H29N3S/c1-6-8-9-10-12(16-11-7-2)13-14(15(3,4)5)17-18-19-13/h12,16H,6-11H2,1-5H3
InChIKeyGUKASTDEHQMDKE-UHFFFAOYSA-N
XLogP4.46
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.48
LogP ≤ 54.46
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

1-(4-tert-butylthiadiazol-5-yl)-N-propylhex-5-en-1-amine
CID 105153160
1-(4-tert-butylthiadiazol-5-yl)heptylhydrazine
CID 105294114
1-(4-tert-butylthiadiazol-5-yl)-N-methylpentan-1-amine
CID 105125643
1-(4-ethylthiadiazol-5-yl)-N-propyldecan-1-amine
CID 105124534
1-(4-propan-2-ylthiadiazol-5-yl)-N-propylheptan-1-amine
CID 105126200
1-(4-tert-butylthiadiazol-5-yl)heptan-1-ol
CID 105085352
1-(4-tert-butylthiadiazol-5-yl)nonan-1-ol
CID 105085797
N-[1-(4-tert-butylthiadiazol-5-yl)-2-phenylethyl]propan-1-amine
CID 105084863
N-[1-(4-tert-butylthiadiazol-5-yl)-2-cyclohexylethyl]propan-1-amine
CID 105135764
1-(4-tert-butylthiadiazol-5-yl)-2-methyl-N-propylbutan-1-amine
CID 105170540
1-(4-tert-butylthiadiazol-5-yl)pentan-1-amine
CID 105125244
N-[1-(4-tert-butylthiadiazol-5-yl)-2-pyridin-3-ylethyl]propan-1-amine
CID 105179988

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylthiadiazol-5-yl)-N-propylhexan-1-amine?
The IUPAC name of 1-(4-tert-butylthiadiazol-5-yl)-N-propylhexan-1-amine (CID 105129802) is 1-(4-tert-butylthiadiazol-5-yl)-N-propylhexan-1-amine.
What is the SMILES notation for 1-(4-tert-butylthiadiazol-5-yl)-N-propylhexan-1-amine?
The canonical SMILES for 1-(4-tert-butylthiadiazol-5-yl)-N-propylhexan-1-amine is CCCCCC(NCCC)c1snnc1C(C)(C)C.
What is the InChIKey of 1-(4-tert-butylthiadiazol-5-yl)-N-propylhexan-1-amine?
The InChIKey is GUKASTDEHQMDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3S/c1-6-8-9-10-12(16-11-7-2)13-14(15(3,4)5)17-18-19-13/h12,16H,6-11H2,1-5H3.
What are the key properties of 1-(4-tert-butylthiadiazol-5-yl)-N-propylhexan-1-amine?
1-(4-tert-butylthiadiazol-5-yl)-N-propylhexan-1-amine has a molecular weight of 283.48 g/mol, XLogP of 4.46, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylthiadiazol-5-yl)-N-propylhexan-1-amine is sourced from PubChem (CID 105129802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).