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

C14H24N2S — CID 63292127

IUPACN-[[1-(1-thiophen-2-ylpropan-2-yl)pyrrolidin-3-yl]methyl]ethanamine
SMILESCCNCC1CCN(C(C)Cc2cccs2)C1
InChIInChI=1S/C14H24N2S/c1-3-15-10-13-6-7-16(11-13)12(2)9-14-5-4-8-17-14/h4-5,8,12-13,15H,3,6-7,9-11H2,1-2H3
InChIKeyONJJLSRWNKYGOZ-UHFFFAOYSA-N
MW252.43 g/mol
LogP2.61
Rot. Bonds6

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

N-[[1-(1-thiophen-2-ylpropan-2-yl)pyrrolidin-3-yl]methyl]ethanamine (PubChem CID 63292127) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is N-[[1-(1-thiophen-2-ylpropan-2-yl)pyrrolidin-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(1-thiophen-2-ylpropan-2-yl)pyrrolidin-3-yl]methyl]ethanamine
PubChem CID63292127
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC NameN-[[1-(1-thiophen-2-ylpropan-2-yl)pyrrolidin-3-yl]methyl]ethanamine
SMILESCCNCC1CCN(C(C)Cc2cccs2)C1
InChIInChI=1S/C14H24N2S/c1-3-15-10-13-6-7-16(11-13)12(2)9-14-5-4-8-17-14/h4-5,8,12-13,15H,3,6-7,9-11H2,1-2H3
InChIKeyONJJLSRWNKYGOZ-UHFFFAOYSA-N
XLogP2.61
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(1-thiophen-2-ylpropan-2-yl)pyrrolidin-3-yl]methanol
CID 64867112
2-methyl-N-[[1-(1-thiophen-2-ylpropan-2-yl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 63292083
N-[[1-(1-thiophen-2-ylbutyl)pyrrolidin-3-yl]methyl]ethanamine
CID 62511490
N,3-dimethyl-1-(1-thiophen-2-ylpropan-2-yl)piperidin-4-amine
CID 55171951
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 80552497
N-[[1-(1-pyrazol-1-ylpropan-2-yl)pyrrolidin-3-yl]methyl]ethanamine
CID 62512276
N-[[1-(6-methylheptan-2-yl)pyrrolidin-3-yl]methyl]ethanamine
CID 62511464
N-[[1-(3-methylbutan-2-yl)pyrrolidin-3-yl]methyl]ethanamine
CID 62513073
3-butan-2-yl-1-(1-thiophen-2-ylpropan-2-yl)piperazine
CID 64954403
N-[[1-[1-(3-methylthiophen-2-yl)ethyl]piperidin-4-yl]methyl]ethanamine
CID 80551539
N-[[1-[1-(3-fluorophenyl)ethyl]pyrrolidin-3-yl]methyl]ethanamine
CID 62512455
N-[3-methyl-1-(1-thiophen-2-ylpropan-2-yl)piperidin-4-yl]-N-phenylpropanamide
CID 53316367

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1-thiophen-2-ylpropan-2-yl)pyrrolidin-3-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(1-thiophen-2-ylpropan-2-yl)pyrrolidin-3-yl]methyl]ethanamine (CID 63292127) is N-[[1-(1-thiophen-2-ylpropan-2-yl)pyrrolidin-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(1-thiophen-2-ylpropan-2-yl)pyrrolidin-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(1-thiophen-2-ylpropan-2-yl)pyrrolidin-3-yl]methyl]ethanamine is CCNCC1CCN(C(C)Cc2cccs2)C1.
What is the InChIKey of N-[[1-(1-thiophen-2-ylpropan-2-yl)pyrrolidin-3-yl]methyl]ethanamine?
The InChIKey is ONJJLSRWNKYGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-3-15-10-13-6-7-16(11-13)12(2)9-14-5-4-8-17-14/h4-5,8,12-13,15H,3,6-7,9-11H2,1-2H3.
What are the key properties of N-[[1-(1-thiophen-2-ylpropan-2-yl)pyrrolidin-3-yl]methyl]ethanamine?
N-[[1-(1-thiophen-2-ylpropan-2-yl)pyrrolidin-3-yl]methyl]ethanamine has a molecular weight of 252.43 g/mol, XLogP of 2.61, 6 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-ylpropan-2-yl)pyrrolidin-3-yl]methyl]ethanamine is sourced from PubChem (CID 63292127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).