1-(4-tert-butylthiadiazol-5-yl)-2-methyl-N-propylbutan-1-amine

C14H27N3S — CID 105170540

IUPAC1-(4-tert-butylthiadiazol-5-yl)-2-methyl-N-propylbutan-1-amine
SMILESCCCNC(c1snnc1C(C)(C)C)C(C)CC
InChIInChI=1S/C14H27N3S/c1-7-9-15-11(10(3)8-2)12-13(14(4,5)6)16-17-18-12/h10-11,15H,7-9H2,1-6H3
InChIKeyROMPJTDZJLPQBM-UHFFFAOYSA-N
MW269.46 g/mol
LogP3.92
Rot. Bonds6

About 1-(4-tert-butylthiadiazol-5-yl)-2-methyl-N-propylbutan-1-amine

1-(4-tert-butylthiadiazol-5-yl)-2-methyl-N-propylbutan-1-amine (PubChem CID 105170540) has the molecular formula C14H27N3S and a molecular weight of 269.46 g/mol. Its IUPAC name is 1-(4-tert-butylthiadiazol-5-yl)-2-methyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(4-tert-butylthiadiazol-5-yl)-2-methyl-N-propylbutan-1-amine
PubChem CID105170540
Molecular FormulaC14H27N3S
Molecular Weight269.46 g/mol
Exact Mass269.19
IUPAC Name1-(4-tert-butylthiadiazol-5-yl)-2-methyl-N-propylbutan-1-amine
SMILESCCCNC(c1snnc1C(C)(C)C)C(C)CC
InChIInChI=1S/C14H27N3S/c1-7-9-15-11(10(3)8-2)12-13(14(4,5)6)16-17-18-12/h10-11,15H,7-9H2,1-6H3
InChIKeyROMPJTDZJLPQBM-UHFFFAOYSA-N
XLogP3.92
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.46
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-tert-butylthiadiazol-5-yl)-2-methylbutan-1-ol
CID 105116559
1-(4-tert-butylthiadiazol-5-yl)-N-propylhexan-1-amine
CID 105129802
N-[1-(4-tert-butylthiadiazol-5-yl)-2-phenylethyl]propan-1-amine
CID 105084863
N-[(4-tert-butylthiadiazol-5-yl)-(4-fluorophenyl)methyl]propan-1-amine
CID 105088130
1-(4-tert-butylthiadiazol-5-yl)-N-propylhex-5-en-1-amine
CID 105153160
N-[1-(4-tert-butylthiadiazol-5-yl)-2-cyclohexylethyl]propan-1-amine
CID 105135764
1-(4-tert-butylthiadiazol-5-yl)-2-methylpentan-1-ol
CID 107894724
1-(4-tert-butylthiadiazol-5-yl)-N-ethyl-2-propan-2-yloxyethanamine
CID 105168099
[1-(4-tert-butylthiadiazol-5-yl)-3-methylpentyl]hydrazine
CID 105298670
1-(4-tert-butylthiadiazol-5-yl)-N-methylpentan-1-amine
CID 105125643
N-[1-(4-tert-butylthiadiazol-5-yl)-2-pyridin-3-ylethyl]propan-1-amine
CID 105179988
1-(4-tert-butylthiadiazol-5-yl)ethylhydrazine
CID 105282656

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylthiadiazol-5-yl)-2-methyl-N-propylbutan-1-amine?
The IUPAC name of 1-(4-tert-butylthiadiazol-5-yl)-2-methyl-N-propylbutan-1-amine (CID 105170540) is 1-(4-tert-butylthiadiazol-5-yl)-2-methyl-N-propylbutan-1-amine.
What is the SMILES notation for 1-(4-tert-butylthiadiazol-5-yl)-2-methyl-N-propylbutan-1-amine?
The canonical SMILES for 1-(4-tert-butylthiadiazol-5-yl)-2-methyl-N-propylbutan-1-amine is CCCNC(c1snnc1C(C)(C)C)C(C)CC.
What is the InChIKey of 1-(4-tert-butylthiadiazol-5-yl)-2-methyl-N-propylbutan-1-amine?
The InChIKey is ROMPJTDZJLPQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3S/c1-7-9-15-11(10(3)8-2)12-13(14(4,5)6)16-17-18-12/h10-11,15H,7-9H2,1-6H3.
What are the key properties of 1-(4-tert-butylthiadiazol-5-yl)-2-methyl-N-propylbutan-1-amine?
1-(4-tert-butylthiadiazol-5-yl)-2-methyl-N-propylbutan-1-amine has a molecular weight of 269.46 g/mol, XLogP of 3.92, 6 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)-2-methyl-N-propylbutan-1-amine is sourced from PubChem (CID 105170540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).