N-[[1-(1-thiophen-2-ylbutyl)pyrrolidin-3-yl]methyl]ethanamine

C15H26N2S — CID 62511490

IUPACN-[[1-(1-thiophen-2-ylbutyl)pyrrolidin-3-yl]methyl]ethanamine
SMILESCCCC(c1cccs1)N1CCC(CNCC)C1
InChIInChI=1S/C15H26N2S/c1-3-6-14(15-7-5-10-18-15)17-9-8-13(12-17)11-16-4-2/h5,7,10,13-14,16H,3-4,6,8-9,11-12H2,1-2H3
InChIKeyNRWLMUKWSIZBMR-UHFFFAOYSA-N
MW266.45 g/mol
LogP3.52
Rot. Bonds7

About N-[[1-(1-thiophen-2-ylbutyl)pyrrolidin-3-yl]methyl]ethanamine

N-[[1-(1-thiophen-2-ylbutyl)pyrrolidin-3-yl]methyl]ethanamine (PubChem CID 62511490) has the molecular formula C15H26N2S and a molecular weight of 266.45 g/mol. Its IUPAC name is N-[[1-(1-thiophen-2-ylbutyl)pyrrolidin-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(1-thiophen-2-ylbutyl)pyrrolidin-3-yl]methyl]ethanamine
PubChem CID62511490
Molecular FormulaC15H26N2S
Molecular Weight266.45 g/mol
Exact Mass266.18
IUPAC NameN-[[1-(1-thiophen-2-ylbutyl)pyrrolidin-3-yl]methyl]ethanamine
SMILESCCCC(c1cccs1)N1CCC(CNCC)C1
InChIInChI=1S/C15H26N2S/c1-3-6-14(15-7-5-10-18-15)17-9-8-13(12-17)11-16-4-2/h5,7,10,13-14,16H,3-4,6,8-9,11-12H2,1-2H3
InChIKeyNRWLMUKWSIZBMR-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.45
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(1-thiophen-2-ylpropan-2-yl)pyrrolidin-3-yl]methyl]ethanamine
CID 63292127
N-propyl-1-(1-thiophen-2-ylbutyl)pyrrolidin-3-amine
CID 54962549
2-[1-(2-amino-1-thiophen-2-ylethyl)pyrrolidin-3-yl]ethanol
CID 114797177
2-[1-(1-thiophen-2-ylpropyl)piperidin-4-yl]acetic acid
CID 79606686
2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(1-thiophen-2-ylethyl)acetamide
CID 80546360
N-[[1-(3-methylbutan-2-yl)pyrrolidin-3-yl]methyl]ethanamine
CID 62513073
N-ethyl-8-(1-thiophen-2-ylbutyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62738648
1-ethyl-2-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-[(1-methylpyrrolidin-3-yl)methyl]guanidine
CID 111323466
N-methyl-8-(1-thiophen-2-ylbutyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62738480
1-[1-(1-thiophen-2-ylpropyl)pyrrolidin-3-yl]ethanamine
CID 103975639
N-[[1-[1-(3-fluorophenyl)ethyl]pyrrolidin-3-yl]methyl]ethanamine
CID 62512455
N,3-dimethyl-1-(1-thiophen-2-ylpropyl)piperidin-4-amine
CID 54976100

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1-thiophen-2-ylbutyl)pyrrolidin-3-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(1-thiophen-2-ylbutyl)pyrrolidin-3-yl]methyl]ethanamine (CID 62511490) is N-[[1-(1-thiophen-2-ylbutyl)pyrrolidin-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(1-thiophen-2-ylbutyl)pyrrolidin-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(1-thiophen-2-ylbutyl)pyrrolidin-3-yl]methyl]ethanamine is CCCC(c1cccs1)N1CCC(CNCC)C1.
What is the InChIKey of N-[[1-(1-thiophen-2-ylbutyl)pyrrolidin-3-yl]methyl]ethanamine?
The InChIKey is NRWLMUKWSIZBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2S/c1-3-6-14(15-7-5-10-18-15)17-9-8-13(12-17)11-16-4-2/h5,7,10,13-14,16H,3-4,6,8-9,11-12H2,1-2H3.
What are the key properties of N-[[1-(1-thiophen-2-ylbutyl)pyrrolidin-3-yl]methyl]ethanamine?
N-[[1-(1-thiophen-2-ylbutyl)pyrrolidin-3-yl]methyl]ethanamine has a molecular weight of 266.45 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1-thiophen-2-ylbutyl)pyrrolidin-3-yl]methyl]ethanamine is sourced from PubChem (CID 62511490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).