1-(5-ethylthiophen-2-yl)-2-methyl-N-propylpropan-1-amine

C13H23NS — CID 43494310

IUPAC1-(5-ethylthiophen-2-yl)-2-methyl-N-propylpropan-1-amine
SMILESCCCNC(c1ccc(CC)s1)C(C)C
InChIInChI=1S/C13H23NS/c1-5-9-14-13(10(3)4)12-8-7-11(6-2)15-12/h7-8,10,13-14H,5-6,9H2,1-4H3
InChIKeyURSFRXGQSAXWES-UHFFFAOYSA-N
MW225.40 g/mol
LogP4.01
Rot. Bonds6

About 1-(5-ethylthiophen-2-yl)-2-methyl-N-propylpropan-1-amine

1-(5-ethylthiophen-2-yl)-2-methyl-N-propylpropan-1-amine (PubChem CID 43494310) has the molecular formula C13H23NS and a molecular weight of 225.40 g/mol. Its IUPAC name is 1-(5-ethylthiophen-2-yl)-2-methyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(5-ethylthiophen-2-yl)-2-methyl-N-propylpropan-1-amine
PubChem CID43494310
Molecular FormulaC13H23NS
Molecular Weight225.40 g/mol
Exact Mass225.16
IUPAC Name1-(5-ethylthiophen-2-yl)-2-methyl-N-propylpropan-1-amine
SMILESCCCNC(c1ccc(CC)s1)C(C)C
InChIInChI=1S/C13H23NS/c1-5-9-14-13(10(3)4)12-8-7-11(6-2)15-12/h7-8,10,13-14H,5-6,9H2,1-4H3
InChIKeyURSFRXGQSAXWES-UHFFFAOYSA-N
XLogP4.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.40
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-ethylthiophen-2-yl)-N-propylbutan-1-amine
CID 43494311
N-ethyl-1-(5-ethylthiophen-2-yl)-2-methylpentan-1-amine
CID 43488382
1-[5-(3-ethylphenyl)thiophen-2-yl]-2-methyl-N-propylpropan-1-amine
CID 43287985
1-[5-(4-iodophenyl)thiophen-2-yl]-2-methyl-N-propylpropan-1-amine
CID 43288084
1-(5-ethylthiophen-2-yl)-3,5,5-trimethyl-N-propylhexan-1-amine
CID 43494313
N-[(5-ethylthiophen-2-yl)-thiophen-3-ylmethyl]propan-1-amine
CID 43494287
(1R)-1-(5-ethylthiophen-2-yl)-N-methylethanamine
CID 55277214
N-[(5-ethylthiophen-2-yl)-(3-propylphenyl)methyl]propan-1-amine
CID 105050309
N-[(2,3-difluoro-4-methylphenyl)-(5-ethylthiophen-2-yl)methyl]propan-1-amine
CID 107515364
N-[2,3-dihydro-1H-inden-2-yl-(5-ethylthiophen-2-yl)methyl]propan-1-amine
CID 106892715
N-[2-(5-ethylthiophen-2-yl)-1-(5-methylthiophen-2-yl)ethyl]propan-1-amine
CID 115842479
1-[5-(2-bromo-4-chlorophenyl)thiophen-2-yl]-2-methyl-N-propylpropan-1-amine
CID 81279710

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylthiophen-2-yl)-2-methyl-N-propylpropan-1-amine?
The IUPAC name of 1-(5-ethylthiophen-2-yl)-2-methyl-N-propylpropan-1-amine (CID 43494310) is 1-(5-ethylthiophen-2-yl)-2-methyl-N-propylpropan-1-amine.
What is the SMILES notation for 1-(5-ethylthiophen-2-yl)-2-methyl-N-propylpropan-1-amine?
The canonical SMILES for 1-(5-ethylthiophen-2-yl)-2-methyl-N-propylpropan-1-amine is CCCNC(c1ccc(CC)s1)C(C)C.
What is the InChIKey of 1-(5-ethylthiophen-2-yl)-2-methyl-N-propylpropan-1-amine?
The InChIKey is URSFRXGQSAXWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NS/c1-5-9-14-13(10(3)4)12-8-7-11(6-2)15-12/h7-8,10,13-14H,5-6,9H2,1-4H3.
What are the key properties of 1-(5-ethylthiophen-2-yl)-2-methyl-N-propylpropan-1-amine?
1-(5-ethylthiophen-2-yl)-2-methyl-N-propylpropan-1-amine has a molecular weight of 225.40 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylthiophen-2-yl)-2-methyl-N-propylpropan-1-amine is sourced from PubChem (CID 43494310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).