2-[[(1-ethylpiperidin-4-yl)methylamino]methyl]thiophen-3-amine

C13H23N3S — CID 66387988

IUPAC2-[[(1-ethylpiperidin-4-yl)methylamino]methyl]thiophen-3-amine
SMILESCCN1CCC(CNCc2sccc2N)CC1
InChIInChI=1S/C13H23N3S/c1-2-16-6-3-11(4-7-16)9-15-10-13-12(14)5-8-17-13/h5,8,11,15H,2-4,6-7,9-10,14H2,1H3
InChIKeyOFVZQDFFBNCPAD-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.15
Rot. Bonds5

About 2-[[(1-ethylpiperidin-4-yl)methylamino]methyl]thiophen-3-amine

2-[[(1-ethylpiperidin-4-yl)methylamino]methyl]thiophen-3-amine (PubChem CID 66387988) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is 2-[[(1-ethylpiperidin-4-yl)methylamino]methyl]thiophen-3-amine.

Molecular Properties

Compound Name2-[[(1-ethylpiperidin-4-yl)methylamino]methyl]thiophen-3-amine
PubChem CID66387988
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC Name2-[[(1-ethylpiperidin-4-yl)methylamino]methyl]thiophen-3-amine
SMILESCCN1CCC(CNCc2sccc2N)CC1
InChIInChI=1S/C13H23N3S/c1-2-16-6-3-11(4-7-16)9-15-10-13-12(14)5-8-17-13/h5,8,11,15H,2-4,6-7,9-10,14H2,1H3
InChIKeyOFVZQDFFBNCPAD-UHFFFAOYSA-N
XLogP2.15
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[(1-ethylpiperidin-4-yl)methylamino]methyl]thiophen-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]thiophen-3-amine
CID 66384964
2-[[(1-methylpiperidin-3-yl)methylamino]methyl]thiophen-3-amine
CID 66387990
2-[[(1-ethylpiperidin-4-yl)methylamino]methyl]aniline
CID 66417480
(2R)-1-[4-[[(3-methylthiophen-2-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 95274120
[5-[[(1-ethylpiperidin-4-yl)methylamino]methyl]furan-2-yl]methanol
CID 64592569
N-[(1-ethylpiperidin-4-yl)methyl]-1-(3-methylthiophen-2-yl)ethanamine
CID 63992298
1-(1-ethylpiperidin-4-yl)-N-[(1-ethylpyrrol-2-yl)methyl]methanamine
CID 66444793
2-[4-[(3-aminothiophen-2-yl)methylamino]piperidin-1-yl]acetamide
CID 66387166
1-(1-ethylpiperidin-4-yl)-N-[(3-methylfuran-2-yl)methyl]methanamine
CID 113243107
6-[[(1-ethylpiperidin-4-yl)methylamino]methyl]pyridin-3-ol
CID 79783467
2-[4-[[(1-ethylpiperidin-4-yl)methylamino]methyl]phenyl]acetic acid
CID 103245859
1-cyclobutyl-N-[(1-ethylpiperidin-4-yl)methyl]methanamine
CID 65457568

Frequently Asked Questions

What is the IUPAC name of 2-[[(1-ethylpiperidin-4-yl)methylamino]methyl]thiophen-3-amine?
The IUPAC name of 2-[[(1-ethylpiperidin-4-yl)methylamino]methyl]thiophen-3-amine (CID 66387988) is 2-[[(1-ethylpiperidin-4-yl)methylamino]methyl]thiophen-3-amine.
What is the SMILES notation for 2-[[(1-ethylpiperidin-4-yl)methylamino]methyl]thiophen-3-amine?
The canonical SMILES for 2-[[(1-ethylpiperidin-4-yl)methylamino]methyl]thiophen-3-amine is CCN1CCC(CNCc2sccc2N)CC1.
What is the InChIKey of 2-[[(1-ethylpiperidin-4-yl)methylamino]methyl]thiophen-3-amine?
The InChIKey is OFVZQDFFBNCPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-2-16-6-3-11(4-7-16)9-15-10-13-12(14)5-8-17-13/h5,8,11,15H,2-4,6-7,9-10,14H2,1H3.
What are the key properties of 2-[[(1-ethylpiperidin-4-yl)methylamino]methyl]thiophen-3-amine?
2-[[(1-ethylpiperidin-4-yl)methylamino]methyl]thiophen-3-amine has a molecular weight of 253.41 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1-ethylpiperidin-4-yl)methylamino]methyl]thiophen-3-amine is sourced from PubChem (CID 66387988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).