1-(2,5-dimethylthiophen-3-yl)-2,2-dimethyl-N-propylpropan-1-amine

C14H25NS — CID 43496846

IUPAC1-(2,5-dimethylthiophen-3-yl)-2,2-dimethyl-N-propylpropan-1-amine
SMILESCCCNC(c1cc(C)sc1C)C(C)(C)C
InChIInChI=1S/C14H25NS/c1-7-8-15-13(14(4,5)6)12-9-10(2)16-11(12)3/h9,13,15H,7-8H2,1-6H3
InChIKeyLZIRAGNUQKIJEC-UHFFFAOYSA-N
MW239.43 g/mol
LogP4.45
Rot. Bonds4

About 1-(2,5-dimethylthiophen-3-yl)-2,2-dimethyl-N-propylpropan-1-amine

1-(2,5-dimethylthiophen-3-yl)-2,2-dimethyl-N-propylpropan-1-amine (PubChem CID 43496846) has the molecular formula C14H25NS and a molecular weight of 239.43 g/mol. Its IUPAC name is 1-(2,5-dimethylthiophen-3-yl)-2,2-dimethyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(2,5-dimethylthiophen-3-yl)-2,2-dimethyl-N-propylpropan-1-amine
PubChem CID43496846
Molecular FormulaC14H25NS
Molecular Weight239.43 g/mol
Exact Mass239.17
IUPAC Name1-(2,5-dimethylthiophen-3-yl)-2,2-dimethyl-N-propylpropan-1-amine
SMILESCCCNC(c1cc(C)sc1C)C(C)(C)C
InChIInChI=1S/C14H25NS/c1-7-8-15-13(14(4,5)6)12-9-10(2)16-11(12)3/h9,13,15H,7-8H2,1-6H3
InChIKeyLZIRAGNUQKIJEC-UHFFFAOYSA-N
XLogP4.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.43
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dimethylthiophen-3-yl)-2,2,3,3,3-pentafluoro-N-propylpropan-1-amine
CID 43496834
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propan-1-amine
CID 43200455
1-(2,5-dimethylthiophen-3-yl)-3,3,3-trifluoro-N-propylpropan-1-amine
CID 43496920
1-(2,5-dimethylthiophen-3-yl)-3,5,5-trimethyl-N-propylhexan-1-amine
CID 43496847
1-(2,5-dimethylphenyl)-2,2-dimethyl-N-propylpropan-1-amine
CID 43496106
2-cyclopropyl-1-(2,5-dimethylthiophen-3-yl)-N-propylpropan-1-amine
CID 83154785
N-[(2,5-dimethylthiophen-3-yl)-(2,4,5-trimethylfuran-3-yl)methyl]propan-1-amine
CID 65152926
N-[(3-bromo-5-chlorophenyl)-(2,5-dimethylthiophen-3-yl)methyl]propan-1-amine
CID 107950442
1-(2,5-dimethylthiophen-3-yl)-2-fluoro-N,2-dimethylpropan-1-amine
CID 130561634
N-[1-(2,5-dimethylthiophen-3-yl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 43496874
N-[(2,4-dibromophenyl)-(2,5-dimethylthiophen-3-yl)methyl]propan-1-amine
CID 107950445
N-[2-(4-bromophenyl)-1-(2,5-dimethylthiophen-3-yl)ethyl]propan-1-amine
CID 43496902

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-2,2-dimethyl-N-propylpropan-1-amine?
The IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-2,2-dimethyl-N-propylpropan-1-amine (CID 43496846) is 1-(2,5-dimethylthiophen-3-yl)-2,2-dimethyl-N-propylpropan-1-amine.
What is the SMILES notation for 1-(2,5-dimethylthiophen-3-yl)-2,2-dimethyl-N-propylpropan-1-amine?
The canonical SMILES for 1-(2,5-dimethylthiophen-3-yl)-2,2-dimethyl-N-propylpropan-1-amine is CCCNC(c1cc(C)sc1C)C(C)(C)C.
What is the InChIKey of 1-(2,5-dimethylthiophen-3-yl)-2,2-dimethyl-N-propylpropan-1-amine?
The InChIKey is LZIRAGNUQKIJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NS/c1-7-8-15-13(14(4,5)6)12-9-10(2)16-11(12)3/h9,13,15H,7-8H2,1-6H3.
What are the key properties of 1-(2,5-dimethylthiophen-3-yl)-2,2-dimethyl-N-propylpropan-1-amine?
1-(2,5-dimethylthiophen-3-yl)-2,2-dimethyl-N-propylpropan-1-amine has a molecular weight of 239.43 g/mol, XLogP of 4.45, 4 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)-2,2-dimethyl-N-propylpropan-1-amine is sourced from PubChem (CID 43496846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).