1-(5-ethylthiophen-2-yl)-3-methyl-N-propyl-3-pyrrolidin-1-ylbutan-2-amine

C18H32N2S — CID 79051436

IUPAC1-(5-ethylthiophen-2-yl)-3-methyl-N-propyl-3-pyrrolidin-1-ylbutan-2-amine
SMILESCCCNC(Cc1ccc(CC)s1)C(C)(C)N1CCCC1
InChIInChI=1S/C18H32N2S/c1-5-11-19-17(14-16-10-9-15(6-2)21-16)18(3,4)20-12-7-8-13-20/h9-10,17,19H,5-8,11-14H2,1-4H3
InChIKeyOQPZZEWSUKIUIW-UHFFFAOYSA-N
MW308.54 g/mol
LogP4.10
Rot. Bonds8

About 1-(5-ethylthiophen-2-yl)-3-methyl-N-propyl-3-pyrrolidin-1-ylbutan-2-amine

1-(5-ethylthiophen-2-yl)-3-methyl-N-propyl-3-pyrrolidin-1-ylbutan-2-amine (PubChem CID 79051436) has the molecular formula C18H32N2S and a molecular weight of 308.54 g/mol. Its IUPAC name is 1-(5-ethylthiophen-2-yl)-3-methyl-N-propyl-3-pyrrolidin-1-ylbutan-2-amine.

Molecular Properties

Compound Name1-(5-ethylthiophen-2-yl)-3-methyl-N-propyl-3-pyrrolidin-1-ylbutan-2-amine
PubChem CID79051436
Molecular FormulaC18H32N2S
Molecular Weight308.54 g/mol
Exact Mass308.23
IUPAC Name1-(5-ethylthiophen-2-yl)-3-methyl-N-propyl-3-pyrrolidin-1-ylbutan-2-amine
SMILESCCCNC(Cc1ccc(CC)s1)C(C)(C)N1CCCC1
InChIInChI=1S/C18H32N2S/c1-5-11-19-17(14-16-10-9-15(6-2)21-16)18(3,4)20-12-7-8-13-20/h9-10,17,19H,5-8,11-14H2,1-4H3
InChIKeyOQPZZEWSUKIUIW-UHFFFAOYSA-N
XLogP4.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.54
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-phenyl-N-propyl-3-pyrrolidin-1-ylbutan-2-amine
CID 79045291
1-(4-bromothiophen-2-yl)-3-methyl-3-piperidin-1-yl-N-propylbutan-2-amine
CID 79052191
3-methyl-1-(4-methylphenyl)-N-propyl-3-pyrrolidin-1-ylbutan-2-amine
CID 79051407
1-(5-ethylthiophen-2-yl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine
CID 79053636
1-(5-ethylthiophen-2-yl)-N,3-dimethyl-3-pyrrolidin-1-ylpentan-2-amine
CID 79068652
3-methyl-N-propyl-1-pyridin-3-yl-3-pyrrolidin-1-ylbutan-2-amine
CID 104736483
3-(azepan-1-yl)-1-(5-bromothiophen-2-yl)-N,3-dimethylbutan-2-amine
CID 79052539
4-methyl-4-piperidin-1-yl-N-propyl-1-thiophen-2-ylpentan-3-amine
CID 79052192
N-[1-cyclopropyl-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine
CID 62600030
3-(azepan-1-yl)-1-cyclopropyl-3-methyl-N-propylbutan-2-amine
CID 79051842
N-[1-cyclohexyl-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine
CID 63413397
2-(azepan-1-yl)-2,5-dimethyl-N-propyloctan-3-amine
CID 79051683

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylthiophen-2-yl)-3-methyl-N-propyl-3-pyrrolidin-1-ylbutan-2-amine?
The IUPAC name of 1-(5-ethylthiophen-2-yl)-3-methyl-N-propyl-3-pyrrolidin-1-ylbutan-2-amine (CID 79051436) is 1-(5-ethylthiophen-2-yl)-3-methyl-N-propyl-3-pyrrolidin-1-ylbutan-2-amine.
What is the SMILES notation for 1-(5-ethylthiophen-2-yl)-3-methyl-N-propyl-3-pyrrolidin-1-ylbutan-2-amine?
The canonical SMILES for 1-(5-ethylthiophen-2-yl)-3-methyl-N-propyl-3-pyrrolidin-1-ylbutan-2-amine is CCCNC(Cc1ccc(CC)s1)C(C)(C)N1CCCC1.
What is the InChIKey of 1-(5-ethylthiophen-2-yl)-3-methyl-N-propyl-3-pyrrolidin-1-ylbutan-2-amine?
The InChIKey is OQPZZEWSUKIUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2S/c1-5-11-19-17(14-16-10-9-15(6-2)21-16)18(3,4)20-12-7-8-13-20/h9-10,17,19H,5-8,11-14H2,1-4H3.
What are the key properties of 1-(5-ethylthiophen-2-yl)-3-methyl-N-propyl-3-pyrrolidin-1-ylbutan-2-amine?
1-(5-ethylthiophen-2-yl)-3-methyl-N-propyl-3-pyrrolidin-1-ylbutan-2-amine has a molecular weight of 308.54 g/mol, XLogP of 4.10, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylthiophen-2-yl)-3-methyl-N-propyl-3-pyrrolidin-1-ylbutan-2-amine is sourced from PubChem (CID 79051436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).