1-(2,5-dimethylthiophen-3-yl)-N-methyl-2-propylpentan-1-amine

C15H27NS — CID 82984794

IUPAC1-(2,5-dimethylthiophen-3-yl)-N-methyl-2-propylpentan-1-amine
SMILESCCCC(CCC)C(NC)c1cc(C)sc1C
InChIInChI=1S/C15H27NS/c1-6-8-13(9-7-2)15(16-5)14-10-11(3)17-12(14)4/h10,13,15-16H,6-9H2,1-5H3
InChIKeyHEZYCCKVQLJXKL-UHFFFAOYSA-N
MW253.45 g/mol
LogP4.84
Rot. Bonds7

About 1-(2,5-dimethylthiophen-3-yl)-N-methyl-2-propylpentan-1-amine

1-(2,5-dimethylthiophen-3-yl)-N-methyl-2-propylpentan-1-amine (PubChem CID 82984794) has the molecular formula C15H27NS and a molecular weight of 253.45 g/mol. Its IUPAC name is 1-(2,5-dimethylthiophen-3-yl)-N-methyl-2-propylpentan-1-amine.

Molecular Properties

Compound Name1-(2,5-dimethylthiophen-3-yl)-N-methyl-2-propylpentan-1-amine
PubChem CID82984794
Molecular FormulaC15H27NS
Molecular Weight253.45 g/mol
Exact Mass253.19
IUPAC Name1-(2,5-dimethylthiophen-3-yl)-N-methyl-2-propylpentan-1-amine
SMILESCCCC(CCC)C(NC)c1cc(C)sc1C
InChIInChI=1S/C15H27NS/c1-6-8-13(9-7-2)15(16-5)14-10-11(3)17-12(14)4/h10,13,15-16H,6-9H2,1-5H3
InChIKeyHEZYCCKVQLJXKL-UHFFFAOYSA-N
XLogP4.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.45
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-N-methyl-2-propylpentan-1-amine?
The IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-N-methyl-2-propylpentan-1-amine (CID 82984794) is 1-(2,5-dimethylthiophen-3-yl)-N-methyl-2-propylpentan-1-amine.
What is the SMILES notation for 1-(2,5-dimethylthiophen-3-yl)-N-methyl-2-propylpentan-1-amine?
The canonical SMILES for 1-(2,5-dimethylthiophen-3-yl)-N-methyl-2-propylpentan-1-amine is CCCC(CCC)C(NC)c1cc(C)sc1C.
What is the InChIKey of 1-(2,5-dimethylthiophen-3-yl)-N-methyl-2-propylpentan-1-amine?
The InChIKey is HEZYCCKVQLJXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NS/c1-6-8-13(9-7-2)15(16-5)14-10-11(3)17-12(14)4/h10,13,15-16H,6-9H2,1-5H3.
What are the key properties of 1-(2,5-dimethylthiophen-3-yl)-N-methyl-2-propylpentan-1-amine?
1-(2,5-dimethylthiophen-3-yl)-N-methyl-2-propylpentan-1-amine has a molecular weight of 253.45 g/mol, XLogP of 4.84, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylthiophen-3-yl)-N-methyl-2-propylpentan-1-amine is sourced from PubChem (CID 82984794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).