1-(3,5-dimethylthiophen-2-yl)-2-ethyl-N-propylbutan-1-amine

C15H27NS — CID 81157389

IUPAC1-(3,5-dimethylthiophen-2-yl)-2-ethyl-N-propylbutan-1-amine
SMILESCCCNC(c1sc(C)cc1C)C(CC)CC
InChIInChI=1S/C15H27NS/c1-6-9-16-14(13(7-2)8-3)15-11(4)10-12(5)17-15/h10,13-14,16H,6-9H2,1-5H3
InChIKeyXIHFMDVAMJZAPE-UHFFFAOYSA-N
MW253.45 g/mol
LogP4.84
Rot. Bonds7

About 1-(3,5-dimethylthiophen-2-yl)-2-ethyl-N-propylbutan-1-amine

1-(3,5-dimethylthiophen-2-yl)-2-ethyl-N-propylbutan-1-amine (PubChem CID 81157389) has the molecular formula C15H27NS and a molecular weight of 253.45 g/mol. Its IUPAC name is 1-(3,5-dimethylthiophen-2-yl)-2-ethyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(3,5-dimethylthiophen-2-yl)-2-ethyl-N-propylbutan-1-amine
PubChem CID81157389
Molecular FormulaC15H27NS
Molecular Weight253.45 g/mol
Exact Mass253.19
IUPAC Name1-(3,5-dimethylthiophen-2-yl)-2-ethyl-N-propylbutan-1-amine
SMILESCCCNC(c1sc(C)cc1C)C(CC)CC
InChIInChI=1S/C15H27NS/c1-6-9-16-14(13(7-2)8-3)15-11(4)10-12(5)17-15/h10,13-14,16H,6-9H2,1-5H3
InChIKeyXIHFMDVAMJZAPE-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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Related Compounds

1-(2,4-dimethyl-1,3-thiazol-5-yl)-2-ethyl-N-propylbutan-1-amine
CID 114033793
N-[2-(2,5-dimethylphenyl)-1-(3,5-dimethylthiophen-2-yl)ethyl]propan-1-amine
CID 81163554
1-(3,5-dimethylthiophen-2-yl)-3,3,3-trifluoro-N-propylpropan-1-amine
CID 81156435
N-[(3,5-dimethylthiophen-2-yl)-(5-ethylfuran-2-yl)methyl]propan-1-amine
CID 81156942
N-[(3,5-dichlorophenyl)-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine
CID 81157391
1-(3,5-dimethylthiophen-2-yl)-4,4,4-trifluoro-N-propylbutan-1-amine
CID 81156173
N-[(3,5-dimethylthiophen-2-yl)-(2-methylphenyl)methyl]propan-1-amine
CID 81155528
N-[(2,5-dibromophenyl)-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine
CID 114369209
2-ethyl-1-(4-fluoro-2,6-dimethylphenyl)-N-propylbutan-1-amine
CID 106878938
N-[(2,5-dibromothiophen-3-yl)-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine
CID 107961210
N-[cycloheptyl-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine
CID 81155915
N-[2-(3,4-difluorophenyl)-1-(3,5-dimethylthiophen-2-yl)ethyl]propan-1-amine
CID 81163687

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylthiophen-2-yl)-2-ethyl-N-propylbutan-1-amine?
The IUPAC name of 1-(3,5-dimethylthiophen-2-yl)-2-ethyl-N-propylbutan-1-amine (CID 81157389) is 1-(3,5-dimethylthiophen-2-yl)-2-ethyl-N-propylbutan-1-amine.
What is the SMILES notation for 1-(3,5-dimethylthiophen-2-yl)-2-ethyl-N-propylbutan-1-amine?
The canonical SMILES for 1-(3,5-dimethylthiophen-2-yl)-2-ethyl-N-propylbutan-1-amine is CCCNC(c1sc(C)cc1C)C(CC)CC.
What is the InChIKey of 1-(3,5-dimethylthiophen-2-yl)-2-ethyl-N-propylbutan-1-amine?
The InChIKey is XIHFMDVAMJZAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NS/c1-6-9-16-14(13(7-2)8-3)15-11(4)10-12(5)17-15/h10,13-14,16H,6-9H2,1-5H3.
What are the key properties of 1-(3,5-dimethylthiophen-2-yl)-2-ethyl-N-propylbutan-1-amine?
1-(3,5-dimethylthiophen-2-yl)-2-ethyl-N-propylbutan-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-(3,5-dimethylthiophen-2-yl)-2-ethyl-N-propylbutan-1-amine is sourced from PubChem (CID 81157389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).