2-ethyl-1-(3-methylthiophen-2-yl)-N-propyl-2-pyrrolidin-1-ylbutan-1-amine

C18H32N2S — CID 79997745

IUPAC2-ethyl-1-(3-methylthiophen-2-yl)-N-propyl-2-pyrrolidin-1-ylbutan-1-amine
SMILESCCCNC(c1sccc1C)C(CC)(CC)N1CCCC1
InChIInChI=1S/C18H32N2S/c1-5-11-19-17(16-15(4)10-14-21-16)18(6-2,7-3)20-12-8-9-13-20/h10,14,17,19H,5-9,11-13H2,1-4H3
InChIKeyHQZHRVKAQSNSNK-UHFFFAOYSA-N
MW308.53 g/mol
LogP4.75
Rot. Bonds8

About 2-ethyl-1-(3-methylthiophen-2-yl)-N-propyl-2-pyrrolidin-1-ylbutan-1-amine

2-ethyl-1-(3-methylthiophen-2-yl)-N-propyl-2-pyrrolidin-1-ylbutan-1-amine (PubChem CID 79997745) has the molecular formula C18H32N2S and a molecular weight of 308.53 g/mol. Its IUPAC name is 2-ethyl-1-(3-methylthiophen-2-yl)-N-propyl-2-pyrrolidin-1-ylbutan-1-amine.

Molecular Properties

Compound Name2-ethyl-1-(3-methylthiophen-2-yl)-N-propyl-2-pyrrolidin-1-ylbutan-1-amine
PubChem CID79997745
Molecular FormulaC18H32N2S
Molecular Weight308.53 g/mol
Exact Mass308.23
IUPAC Name2-ethyl-1-(3-methylthiophen-2-yl)-N-propyl-2-pyrrolidin-1-ylbutan-1-amine
SMILESCCCNC(c1sccc1C)C(CC)(CC)N1CCCC1
InChIInChI=1S/C18H32N2S/c1-5-11-19-17(16-15(4)10-14-21-16)18(6-2,7-3)20-12-8-9-13-20/h10,14,17,19H,5-9,11-13H2,1-4H3
InChIKeyHQZHRVKAQSNSNK-UHFFFAOYSA-N
XLogP4.75
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.53
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-1-(3-methylthiophen-2-yl)-2-pyrrolidin-1-ylbutan-1-ol
CID 79988633
2-ethyl-1-(2-methylpyrazol-3-yl)-N-propyl-2-pyrrolidin-1-ylbutan-1-amine
CID 79057663
2-(azepan-1-yl)-2-methyl-N-propyl-1-thiophen-2-ylpropan-1-amine
CID 79052153
2-ethyl-1-(3-methyltriazol-4-yl)-N-propyl-2-pyrrolidin-1-ylbutan-1-amine
CID 114688377
N,2-diethyl-1-(5-methylthiophen-2-yl)-2-pyrrolidin-1-ylbutan-1-amine
CID 79068315
N-[2-cyclobutyl-1-(3-methylthiophen-2-yl)ethyl]propan-1-amine
CID 115863501
1-(3-bromothiophen-2-yl)-N,3-diethyl-3-pyrrolidin-1-ylpentan-2-amine
CID 79057408
2-methyl-1-(5-methylthiophen-3-yl)-N-propyl-2-pyrrolidin-1-ylbutan-1-amine
CID 79069595
N,N-dimethyl-1-[(3-methylthiophen-2-yl)-(propylamino)methyl]cyclohexan-1-amine
CID 79988935
N-[(3-methylthiophen-2-yl)-thiophen-2-ylmethyl]propan-1-amine
CID 43495885
1-(3-bromothiophen-2-yl)-2,2-dimethyl-N-propylbutan-1-amine
CID 80536067
1-(2,3-dimethylphenyl)-2-methyl-N-propyl-2-pyrrolidin-1-ylpropan-1-amine
CID 79051428

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(3-methylthiophen-2-yl)-N-propyl-2-pyrrolidin-1-ylbutan-1-amine?
The IUPAC name of 2-ethyl-1-(3-methylthiophen-2-yl)-N-propyl-2-pyrrolidin-1-ylbutan-1-amine (CID 79997745) is 2-ethyl-1-(3-methylthiophen-2-yl)-N-propyl-2-pyrrolidin-1-ylbutan-1-amine.
What is the SMILES notation for 2-ethyl-1-(3-methylthiophen-2-yl)-N-propyl-2-pyrrolidin-1-ylbutan-1-amine?
The canonical SMILES for 2-ethyl-1-(3-methylthiophen-2-yl)-N-propyl-2-pyrrolidin-1-ylbutan-1-amine is CCCNC(c1sccc1C)C(CC)(CC)N1CCCC1.
What is the InChIKey of 2-ethyl-1-(3-methylthiophen-2-yl)-N-propyl-2-pyrrolidin-1-ylbutan-1-amine?
The InChIKey is HQZHRVKAQSNSNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2S/c1-5-11-19-17(16-15(4)10-14-21-16)18(6-2,7-3)20-12-8-9-13-20/h10,14,17,19H,5-9,11-13H2,1-4H3.
What are the key properties of 2-ethyl-1-(3-methylthiophen-2-yl)-N-propyl-2-pyrrolidin-1-ylbutan-1-amine?
2-ethyl-1-(3-methylthiophen-2-yl)-N-propyl-2-pyrrolidin-1-ylbutan-1-amine has a molecular weight of 308.53 g/mol, XLogP of 4.75, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(3-methylthiophen-2-yl)-N-propyl-2-pyrrolidin-1-ylbutan-1-amine is sourced from PubChem (CID 79997745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).