N-[(1-ethylpyrrolidin-3-yl)methyl]-1-thiophen-2-ylpropan-1-amine

C14H24N2S — CID 60856851

IUPACN-[(1-ethylpyrrolidin-3-yl)methyl]-1-thiophen-2-ylpropan-1-amine
SMILESCCC(NCC1CCN(CC)C1)c1cccs1
InChIInChI=1S/C14H24N2S/c1-3-13(14-6-5-9-17-14)15-10-12-7-8-16(4-2)11-12/h5-6,9,12-13,15H,3-4,7-8,10-11H2,1-2H3
InChIKeyIZMPJXOOCRLFQB-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.13
Rot. Bonds6

About N-[(1-ethylpyrrolidin-3-yl)methyl]-1-thiophen-2-ylpropan-1-amine

N-[(1-ethylpyrrolidin-3-yl)methyl]-1-thiophen-2-ylpropan-1-amine (PubChem CID 60856851) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-3-yl)methyl]-1-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-3-yl)methyl]-1-thiophen-2-ylpropan-1-amine
PubChem CID60856851
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC NameN-[(1-ethylpyrrolidin-3-yl)methyl]-1-thiophen-2-ylpropan-1-amine
SMILESCCC(NCC1CCN(CC)C1)c1cccs1
InChIInChI=1S/C14H24N2S/c1-3-13(14-6-5-9-17-14)15-10-12-7-8-16(4-2)11-12/h5-6,9,12-13,15H,3-4,7-8,10-11H2,1-2H3
InChIKeyIZMPJXOOCRLFQB-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

phenyl-[(3R)-3-[[[(1S)-1-thiophen-2-ylpropyl]amino]methyl]pyrrolidin-1-yl]methanone
CID 124738417
phenyl-[3-[(1-thiophen-2-ylpropylamino)methyl]pyrrolidin-1-yl]methanone
CID 119051883
N-[(1-ethylpyrrolidin-3-yl)methyl]-1-(4-methoxyphenyl)propan-1-amine
CID 60855495
tert-butyl 4-[(1-thiophen-2-ylpropylamino)methyl]piperidine-1-carboxylate
CID 103730198
1-thiophen-2-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine
CID 60855966
4-[(1-thiophen-2-ylpropylamino)methyl]cyclohexane-1-carboxylic acid
CID 79532736
N-[(1-ethylpyrrolidin-3-yl)methyl]thiophene-2-carboxamide
CID 61242837
4-bromo-2-[1-[(1-ethylpyrrolidin-3-yl)methylamino]propyl]phenol
CID 60855843
N-(1,3-dioxolan-2-ylmethyl)-1-thiophen-2-ylpropan-1-amine
CID 75504547
N-[(2,2-dimethylcyclopropyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 103902072
1-methyl-N-(1-thiophen-2-ylpropyl)pyrrolidin-3-amine
CID 61462269
N-[(4-tert-butylcyclohexyl)methyl]-1-thiophen-2-ylbutan-1-amine
CID 104575012

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-3-yl)methyl]-1-thiophen-2-ylpropan-1-amine?
The IUPAC name of N-[(1-ethylpyrrolidin-3-yl)methyl]-1-thiophen-2-ylpropan-1-amine (CID 60856851) is N-[(1-ethylpyrrolidin-3-yl)methyl]-1-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for N-[(1-ethylpyrrolidin-3-yl)methyl]-1-thiophen-2-ylpropan-1-amine?
The canonical SMILES for N-[(1-ethylpyrrolidin-3-yl)methyl]-1-thiophen-2-ylpropan-1-amine is CCC(NCC1CCN(CC)C1)c1cccs1.
What is the InChIKey of N-[(1-ethylpyrrolidin-3-yl)methyl]-1-thiophen-2-ylpropan-1-amine?
The InChIKey is IZMPJXOOCRLFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-3-13(14-6-5-9-17-14)15-10-12-7-8-16(4-2)11-12/h5-6,9,12-13,15H,3-4,7-8,10-11H2,1-2H3.
What are the key properties of N-[(1-ethylpyrrolidin-3-yl)methyl]-1-thiophen-2-ylpropan-1-amine?
N-[(1-ethylpyrrolidin-3-yl)methyl]-1-thiophen-2-ylpropan-1-amine has a molecular weight of 252.43 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-3-yl)methyl]-1-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 60856851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).