N-[(3-ethylpiperidin-3-yl)methyl]-N-methyl-1-thiophen-2-ylpropan-2-amine

C16H28N2S — CID 79488254

IUPACN-[(3-ethylpiperidin-3-yl)methyl]-N-methyl-1-thiophen-2-ylpropan-2-amine
SMILESCCC1(CN(C)C(C)Cc2cccs2)CCCNC1
InChIInChI=1S/C16H28N2S/c1-4-16(8-6-9-17-12-16)13-18(3)14(2)11-15-7-5-10-19-15/h5,7,10,14,17H,4,6,8-9,11-13H2,1-3H3
InChIKeyFHIOHQAXGTWDFN-UHFFFAOYSA-N
MW280.48 g/mol
LogP3.39
Rot. Bonds6

About N-[(3-ethylpiperidin-3-yl)methyl]-N-methyl-1-thiophen-2-ylpropan-2-amine

N-[(3-ethylpiperidin-3-yl)methyl]-N-methyl-1-thiophen-2-ylpropan-2-amine (PubChem CID 79488254) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is N-[(3-ethylpiperidin-3-yl)methyl]-N-methyl-1-thiophen-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[(3-ethylpiperidin-3-yl)methyl]-N-methyl-1-thiophen-2-ylpropan-2-amine
PubChem CID79488254
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC NameN-[(3-ethylpiperidin-3-yl)methyl]-N-methyl-1-thiophen-2-ylpropan-2-amine
SMILESCCC1(CN(C)C(C)Cc2cccs2)CCCNC1
InChIInChI=1S/C16H28N2S/c1-4-16(8-6-9-17-12-16)13-18(3)14(2)11-15-7-5-10-19-15/h5,7,10,14,17H,4,6,8-9,11-13H2,1-3H3
InChIKeyFHIOHQAXGTWDFN-UHFFFAOYSA-N
XLogP3.39
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[[1-(propylaminomethyl)cyclopentyl]methyl]-1-thiophen-2-ylpropan-2-amine
CID 79489631
4-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]piperidin-4-ol
CID 79476515
N-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-methyl-1-thiophen-2-ylpropan-2-amine
CID 79486442
1-[methyl(1-thiophen-2-ylpropan-2-yl)amino]propan-2-ol
CID 79485730
N-[(3-ethylpiperidin-3-yl)methyl]-N-methyl-1-thiophen-3-ylmethanamine
CID 55167019
3-fluoro-3-(thiophen-2-ylmethyl)piperidine
CID 83819153
N-[(3-ethylpiperidin-3-yl)methyl]-N-methyl-1-methylsulfanylbutan-2-amine
CID 112660945
3-methyl-3-(thiophen-2-ylmethoxy)piperidine
CID 107385713
N-[(3-methylpyrrolidin-3-yl)methyl]-N-(thiophen-2-ylmethyl)propan-2-amine
CID 63142751
N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-thiophen-2-ylmethanamine
CID 83073731
3-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 63135259
N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79470909

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylpiperidin-3-yl)methyl]-N-methyl-1-thiophen-2-ylpropan-2-amine?
The IUPAC name of N-[(3-ethylpiperidin-3-yl)methyl]-N-methyl-1-thiophen-2-ylpropan-2-amine (CID 79488254) is N-[(3-ethylpiperidin-3-yl)methyl]-N-methyl-1-thiophen-2-ylpropan-2-amine.
What is the SMILES notation for N-[(3-ethylpiperidin-3-yl)methyl]-N-methyl-1-thiophen-2-ylpropan-2-amine?
The canonical SMILES for N-[(3-ethylpiperidin-3-yl)methyl]-N-methyl-1-thiophen-2-ylpropan-2-amine is CCC1(CN(C)C(C)Cc2cccs2)CCCNC1.
What is the InChIKey of N-[(3-ethylpiperidin-3-yl)methyl]-N-methyl-1-thiophen-2-ylpropan-2-amine?
The InChIKey is FHIOHQAXGTWDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-4-16(8-6-9-17-12-16)13-18(3)14(2)11-15-7-5-10-19-15/h5,7,10,14,17H,4,6,8-9,11-13H2,1-3H3.
What are the key properties of N-[(3-ethylpiperidin-3-yl)methyl]-N-methyl-1-thiophen-2-ylpropan-2-amine?
N-[(3-ethylpiperidin-3-yl)methyl]-N-methyl-1-thiophen-2-ylpropan-2-amine has a molecular weight of 280.48 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylpiperidin-3-yl)methyl]-N-methyl-1-thiophen-2-ylpropan-2-amine is sourced from PubChem (CID 79488254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).