N-[(5-ethylthiophen-2-yl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine

C15H26N2S — CID 114136966

IUPACN-[(5-ethylthiophen-2-yl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine
SMILESCCc1ccc(CNCCC2CCCCN2C)s1
InChIInChI=1S/C15H26N2S/c1-3-14-7-8-15(18-14)12-16-10-9-13-6-4-5-11-17(13)2/h7-8,13,16H,3-6,9-12H2,1-2H3
InChIKeyYSGGIVOLVURWSU-UHFFFAOYSA-N
MW266.45 g/mol
LogP3.27
Rot. Bonds6

About N-[(5-ethylthiophen-2-yl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine

N-[(5-ethylthiophen-2-yl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine (PubChem CID 114136966) has the molecular formula C15H26N2S and a molecular weight of 266.45 g/mol. Its IUPAC name is N-[(5-ethylthiophen-2-yl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(5-ethylthiophen-2-yl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine
PubChem CID114136966
Molecular FormulaC15H26N2S
Molecular Weight266.45 g/mol
Exact Mass266.18
IUPAC NameN-[(5-ethylthiophen-2-yl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine
SMILESCCc1ccc(CNCCC2CCCCN2C)s1
InChIInChI=1S/C15H26N2S/c1-3-14-7-8-15(18-14)12-16-10-9-13-6-4-5-11-17(13)2/h7-8,13,16H,3-6,9-12H2,1-2H3
InChIKeyYSGGIVOLVURWSU-UHFFFAOYSA-N
XLogP3.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.45
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(5-bromothiophen-2-yl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine
CID 62416869
3-cyclopentyl-N-[(5-ethylthiophen-2-yl)methyl]propan-1-amine
CID 106008268
N-ethyl-2-(1-methylpiperidin-2-yl)ethanamine
CID 60685781
[4-[[2-(1-methylpiperidin-2-yl)ethylamino]methyl]phenyl]methanol
CID 107230971
N-[(5-ethylthiophen-2-yl)methyl]-2-(oxan-2-yl)ethanamine
CID 113362826
2-(1-methylpiperidin-2-yl)-N-(pyridin-4-ylmethyl)ethanamine
CID 60684733
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine
CID 62416479
N-[(2,4-difluorophenyl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine
CID 62415492
4-ethyl-N-[2-(1-methylpiperidin-2-yl)ethyl]aniline
CID 62414895
N-[(3,4-dimethoxyphenyl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine
CID 60688002
2,3-dimethyl-N-[2-(1-methylpiperidin-2-yl)ethyl]butan-1-amine
CID 64570931
N-[(1-methylpyrrolidin-2-yl)methyl]-5-(propylaminomethyl)thiophene-2-sulfonamide
CID 106094791

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine?
The IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine (CID 114136966) is N-[(5-ethylthiophen-2-yl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine.
What is the SMILES notation for N-[(5-ethylthiophen-2-yl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine?
The canonical SMILES for N-[(5-ethylthiophen-2-yl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine is CCc1ccc(CNCCC2CCCCN2C)s1.
What is the InChIKey of N-[(5-ethylthiophen-2-yl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine?
The InChIKey is YSGGIVOLVURWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2S/c1-3-14-7-8-15(18-14)12-16-10-9-13-6-4-5-11-17(13)2/h7-8,13,16H,3-6,9-12H2,1-2H3.
What are the key properties of N-[(5-ethylthiophen-2-yl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine?
N-[(5-ethylthiophen-2-yl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine has a molecular weight of 266.45 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylthiophen-2-yl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine is sourced from PubChem (CID 114136966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).