N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(1-ethylpiperidin-3-yl)ethanamine

C16H28N2S — CID 65246481

IUPACN-[(4,5-dimethylthiophen-2-yl)methyl]-1-(1-ethylpiperidin-3-yl)ethanamine
SMILESCCN1CCCC(C(C)NCc2cc(C)c(C)s2)C1
InChIInChI=1S/C16H28N2S/c1-5-18-8-6-7-15(11-18)13(3)17-10-16-9-12(2)14(4)19-16/h9,13,15,17H,5-8,10-11H2,1-4H3
InChIKeyKTLRWUPOCUMFBK-UHFFFAOYSA-N
MW280.48 g/mol
LogP3.57
Rot. Bonds5

About N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(1-ethylpiperidin-3-yl)ethanamine

N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(1-ethylpiperidin-3-yl)ethanamine (PubChem CID 65246481) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(1-ethylpiperidin-3-yl)ethanamine.

Molecular Properties

Compound NameN-[(4,5-dimethylthiophen-2-yl)methyl]-1-(1-ethylpiperidin-3-yl)ethanamine
PubChem CID65246481
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC NameN-[(4,5-dimethylthiophen-2-yl)methyl]-1-(1-ethylpiperidin-3-yl)ethanamine
SMILESCCN1CCCC(C(C)NCc2cc(C)c(C)s2)C1
InChIInChI=1S/C16H28N2S/c1-5-18-8-6-7-15(11-18)13(3)17-10-16-9-12(2)14(4)19-16/h9,13,15,17H,5-8,10-11H2,1-4H3
InChIKeyKTLRWUPOCUMFBK-UHFFFAOYSA-N
XLogP3.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-ethylpiperidin-3-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 63280456
1-(1-ethylpiperidin-3-yl)-N-[(4-fluorophenyl)methyl]ethanamine
CID 43307907
N-[1-(1-ethylpiperidin-3-yl)ethyl]-2-methylpropan-1-amine
CID 43307395
N-[(4,5-dimethylthiophen-2-yl)methyl]propan-2-amine
CID 59237373
N-cyclopentyl-2-[(4,5-dimethylthiophen-2-yl)methylamino]propanamide
CID 65244170
1-(1-ethylpiperidin-3-yl)-N-[(4-nitrophenyl)methyl]ethanamine
CID 60875393
N-[1-(1-ethylpiperidin-3-yl)ethyl]-4-iodo-2-methylaniline
CID 43716961
N-[1-(1-ethylpiperidin-3-yl)ethyl]-2-methoxypropan-1-amine
CID 102696931
N-[1-(1-ethylpiperidin-3-yl)ethyl]octan-1-amine
CID 115566809
N-[1-(1-ethylpiperidin-3-yl)ethyl]butan-2-amine
CID 43307389
N-(2-cyclohexylethyl)-1-(1-ethylpiperidin-3-yl)ethanamine
CID 54931824
N-[1-(1-ethylpiperidin-3-yl)ethyl]-3,4,5-trifluoroaniline
CID 62810700

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(1-ethylpiperidin-3-yl)ethanamine?
The IUPAC name of N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(1-ethylpiperidin-3-yl)ethanamine (CID 65246481) is N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(1-ethylpiperidin-3-yl)ethanamine.
What is the SMILES notation for N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(1-ethylpiperidin-3-yl)ethanamine?
The canonical SMILES for N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(1-ethylpiperidin-3-yl)ethanamine is CCN1CCCC(C(C)NCc2cc(C)c(C)s2)C1.
What is the InChIKey of N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(1-ethylpiperidin-3-yl)ethanamine?
The InChIKey is KTLRWUPOCUMFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-5-18-8-6-7-15(11-18)13(3)17-10-16-9-12(2)14(4)19-16/h9,13,15,17H,5-8,10-11H2,1-4H3.
What are the key properties of N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(1-ethylpiperidin-3-yl)ethanamine?
N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(1-ethylpiperidin-3-yl)ethanamine has a molecular weight of 280.48 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(1-ethylpiperidin-3-yl)ethanamine is sourced from PubChem (CID 65246481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).