N-[(1-ethylpiperidin-4-yl)methyl]-1-(3-methylthiophen-2-yl)ethanamine

C15H26N2S — CID 63992298

IUPACN-[(1-ethylpiperidin-4-yl)methyl]-1-(3-methylthiophen-2-yl)ethanamine
SMILESCCN1CCC(CNC(C)c2sccc2C)CC1
InChIInChI=1S/C15H26N2S/c1-4-17-8-5-14(6-9-17)11-16-13(3)15-12(2)7-10-18-15/h7,10,13-14,16H,4-6,8-9,11H2,1-3H3
InChIKeyTUUAGXBEIKELBN-UHFFFAOYSA-N
MW266.45 g/mol
LogP3.44
Rot. Bonds5

About N-[(1-ethylpiperidin-4-yl)methyl]-1-(3-methylthiophen-2-yl)ethanamine

N-[(1-ethylpiperidin-4-yl)methyl]-1-(3-methylthiophen-2-yl)ethanamine (PubChem CID 63992298) has the molecular formula C15H26N2S and a molecular weight of 266.45 g/mol. Its IUPAC name is N-[(1-ethylpiperidin-4-yl)methyl]-1-(3-methylthiophen-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(1-ethylpiperidin-4-yl)methyl]-1-(3-methylthiophen-2-yl)ethanamine
PubChem CID63992298
Molecular FormulaC15H26N2S
Molecular Weight266.45 g/mol
Exact Mass266.18
IUPAC NameN-[(1-ethylpiperidin-4-yl)methyl]-1-(3-methylthiophen-2-yl)ethanamine
SMILESCCN1CCC(CNC(C)c2sccc2C)CC1
InChIInChI=1S/C15H26N2S/c1-4-17-8-5-14(6-9-17)11-16-13(3)15-12(2)7-10-18-15/h7,10,13-14,16H,4-6,8-9,11H2,1-3H3
InChIKeyTUUAGXBEIKELBN-UHFFFAOYSA-N
XLogP3.44
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.45
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[1-(3-methylthiophen-2-yl)ethyl]piperidin-4-yl]methyl]ethanamine
CID 80551539
N-[2-(cyclopropylmethylsulfanyl)ethyl]-1-(3-methylthiophen-2-yl)ethanamine
CID 115729271
2-[[(1-ethylpiperidin-4-yl)methylamino]methyl]thiophen-3-amine
CID 66387988
(2R)-1-[4-[[(3-methylthiophen-2-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 95274120
1-(3-bromothiophen-2-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine
CID 60856326
2-(cyclopentylmethylamino)-2-(3-methylthiophen-2-yl)ethanol
CID 115907951
tert-butyl 3-[2-[1-(3-methylthiophen-2-yl)ethylamino]ethyl]pyrrolidine-1-carboxylate
CID 103782479
N-[1-(3-methylthiophen-2-yl)ethyl]butan-2-amine
CID 63992990
(1R)-N-(2-methoxyethyl)-1-(3-methylthiophen-2-yl)ethanamine
CID 95310705
N-[(1-ethylpyrrolidin-3-yl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 60856851
N-[(1-ethylpiperidin-4-yl)methyl]-1-(5-fluoro-3-pyridinyl)ethanamine
CID 103781450
N-ethoxy-1-(3-methylthiophen-2-yl)ethanamine
CID 82709754

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpiperidin-4-yl)methyl]-1-(3-methylthiophen-2-yl)ethanamine?
The IUPAC name of N-[(1-ethylpiperidin-4-yl)methyl]-1-(3-methylthiophen-2-yl)ethanamine (CID 63992298) is N-[(1-ethylpiperidin-4-yl)methyl]-1-(3-methylthiophen-2-yl)ethanamine.
What is the SMILES notation for N-[(1-ethylpiperidin-4-yl)methyl]-1-(3-methylthiophen-2-yl)ethanamine?
The canonical SMILES for N-[(1-ethylpiperidin-4-yl)methyl]-1-(3-methylthiophen-2-yl)ethanamine is CCN1CCC(CNC(C)c2sccc2C)CC1.
What is the InChIKey of N-[(1-ethylpiperidin-4-yl)methyl]-1-(3-methylthiophen-2-yl)ethanamine?
The InChIKey is TUUAGXBEIKELBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2S/c1-4-17-8-5-14(6-9-17)11-16-13(3)15-12(2)7-10-18-15/h7,10,13-14,16H,4-6,8-9,11H2,1-3H3.
What are the key properties of N-[(1-ethylpiperidin-4-yl)methyl]-1-(3-methylthiophen-2-yl)ethanamine?
N-[(1-ethylpiperidin-4-yl)methyl]-1-(3-methylthiophen-2-yl)ethanamine has a molecular weight of 266.45 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpiperidin-4-yl)methyl]-1-(3-methylthiophen-2-yl)ethanamine is sourced from PubChem (CID 63992298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).