1-(2,5-dimethylthiophen-3-yl)-3,5,5-trimethyl-N-propylhexan-1-amine

C18H33NS — CID 43496847

IUPAC1-(2,5-dimethylthiophen-3-yl)-3,5,5-trimethyl-N-propylhexan-1-amine
SMILESCCCNC(CC(C)CC(C)(C)C)c1cc(C)sc1C
InChIInChI=1S/C18H33NS/c1-8-9-19-17(10-13(2)12-18(5,6)7)16-11-14(3)20-15(16)4/h11,13,17,19H,8-10,12H2,1-7H3
InChIKeyGVUTZSKVIDYRSA-UHFFFAOYSA-N
MW295.54 g/mol
LogP5.87
Rot. Bonds7

About 1-(2,5-dimethylthiophen-3-yl)-3,5,5-trimethyl-N-propylhexan-1-amine

1-(2,5-dimethylthiophen-3-yl)-3,5,5-trimethyl-N-propylhexan-1-amine (PubChem CID 43496847) has the molecular formula C18H33NS and a molecular weight of 295.54 g/mol. Its IUPAC name is 1-(2,5-dimethylthiophen-3-yl)-3,5,5-trimethyl-N-propylhexan-1-amine.

Molecular Properties

Compound Name1-(2,5-dimethylthiophen-3-yl)-3,5,5-trimethyl-N-propylhexan-1-amine
PubChem CID43496847
Molecular FormulaC18H33NS
Molecular Weight295.54 g/mol
Exact Mass295.23
IUPAC Name1-(2,5-dimethylthiophen-3-yl)-3,5,5-trimethyl-N-propylhexan-1-amine
SMILESCCCNC(CC(C)CC(C)(C)C)c1cc(C)sc1C
InChIInChI=1S/C18H33NS/c1-8-9-19-17(10-13(2)12-18(5,6)7)16-11-14(3)20-15(16)4/h11,13,17,19H,8-10,12H2,1-7H3
InChIKeyGVUTZSKVIDYRSA-UHFFFAOYSA-N
XLogP5.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.54
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dimethylthiophen-3-yl)-3,3,3-trifluoro-N-propylpropan-1-amine
CID 43496920
3,5,5-trimethyl-1-(5-methylthiophen-3-yl)-N-propylhexan-1-amine
CID 104991561
1-(2,5-dimethylthiophen-3-yl)-2,2-dimethyl-N-propylpropan-1-amine
CID 43496846
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propan-1-amine
CID 43200455
1-(2,4-dichlorophenyl)-3,5,5-trimethyl-N-propylhexan-1-amine
CID 63501748
1-(5-ethylthiophen-2-yl)-3,5,5-trimethyl-N-propylhexan-1-amine
CID 43494313
3,5,5-trimethyl-1-(5-methylfuran-2-yl)-N-propylhexan-1-amine
CID 63502641
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)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 43496874
N-[2-(4-bromophenyl)-1-(2,5-dimethylthiophen-3-yl)ethyl]propan-1-amine
CID 43496902
1-(3,5-dimethylthiophen-2-yl)-3,3,3-trifluoro-N-propylpropan-1-amine
CID 81156435
2-cyclopropyl-1-(2,5-dimethylthiophen-3-yl)-N-propylpropan-1-amine
CID 83154785

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-3,5,5-trimethyl-N-propylhexan-1-amine?
The IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-3,5,5-trimethyl-N-propylhexan-1-amine (CID 43496847) is 1-(2,5-dimethylthiophen-3-yl)-3,5,5-trimethyl-N-propylhexan-1-amine.
What is the SMILES notation for 1-(2,5-dimethylthiophen-3-yl)-3,5,5-trimethyl-N-propylhexan-1-amine?
The canonical SMILES for 1-(2,5-dimethylthiophen-3-yl)-3,5,5-trimethyl-N-propylhexan-1-amine is CCCNC(CC(C)CC(C)(C)C)c1cc(C)sc1C.
What is the InChIKey of 1-(2,5-dimethylthiophen-3-yl)-3,5,5-trimethyl-N-propylhexan-1-amine?
The InChIKey is GVUTZSKVIDYRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NS/c1-8-9-19-17(10-13(2)12-18(5,6)7)16-11-14(3)20-15(16)4/h11,13,17,19H,8-10,12H2,1-7H3.
What are the key properties of 1-(2,5-dimethylthiophen-3-yl)-3,5,5-trimethyl-N-propylhexan-1-amine?
1-(2,5-dimethylthiophen-3-yl)-3,5,5-trimethyl-N-propylhexan-1-amine has a molecular weight of 295.54 g/mol, XLogP of 5.87, 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)-3,5,5-trimethyl-N-propylhexan-1-amine is sourced from PubChem (CID 43496847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).