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

C12H21N3S — CID 66384964

IUPAC2-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]thiophen-3-amine
SMILESCCN1CCC(CNCc2sccc2N)C1
InChIInChI=1S/C12H21N3S/c1-2-15-5-3-10(9-15)7-14-8-12-11(13)4-6-16-12/h4,6,10,14H,2-3,5,7-9,13H2,1H3
InChIKeyWQYRNBDHZOENLH-UHFFFAOYSA-N
MW239.39 g/mol
LogP1.76
Rot. Bonds5

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

2-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]thiophen-3-amine (PubChem CID 66384964) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is 2-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]thiophen-3-amine.

Molecular Properties

Compound Name2-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]thiophen-3-amine
PubChem CID66384964
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name2-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]thiophen-3-amine
SMILESCCN1CCC(CNCc2sccc2N)C1
InChIInChI=1S/C12H21N3S/c1-2-15-5-3-10(9-15)7-14-8-12-11(13)4-6-16-12/h4,6,10,14H,2-3,5,7-9,13H2,1H3
InChIKeyWQYRNBDHZOENLH-UHFFFAOYSA-N
XLogP1.76
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(1-ethylpiperidin-4-yl)methylamino]methyl]thiophen-3-amine
CID 66387988
2-[[(1-methylpiperidin-3-yl)methylamino]methyl]thiophen-3-amine
CID 66387990
N-[(5-ethylfuran-2-yl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine
CID 62346349
1-(1-ethylpyrrolidin-3-yl)-N-[(5-nitrofuran-2-yl)methyl]methanamine
CID 54927681
1-(1-ethylpyrrolidin-3-yl)-N-(furan-3-ylmethyl)methanamine
CID 63001258
1-(1-ethylpiperidin-3-yl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
CID 115597499
(2R)-1-[4-[[(3-methylthiophen-2-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 95274120
2-[[(1-ethylpiperidin-4-yl)methylamino]methyl]aniline
CID 66417480
1-(1-ethylpyrrolidin-3-yl)-N-(pyrimidin-5-ylmethyl)methanamine
CID 62760477
1-(1-ethylpyrrolidin-3-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 60857501
N-[(5-chloro-2-fluorophenyl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine
CID 115761800
2-[2-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]phenyl]acetic acid
CID 115461655

Frequently Asked Questions

What is the IUPAC name of 2-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]thiophen-3-amine?
The IUPAC name of 2-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]thiophen-3-amine (CID 66384964) is 2-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]thiophen-3-amine.
What is the SMILES notation for 2-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]thiophen-3-amine?
The canonical SMILES for 2-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]thiophen-3-amine is CCN1CCC(CNCc2sccc2N)C1.
What is the InChIKey of 2-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]thiophen-3-amine?
The InChIKey is WQYRNBDHZOENLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-2-15-5-3-10(9-15)7-14-8-12-11(13)4-6-16-12/h4,6,10,14H,2-3,5,7-9,13H2,1H3.
What are the key properties of 2-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]thiophen-3-amine?
2-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]thiophen-3-amine has a molecular weight of 239.39 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]thiophen-3-amine is sourced from PubChem (CID 66384964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).