N-ethyl-2-methyl-1-(5-methylthiophen-2-yl)-2-piperidin-1-ylpropan-1-amine

C16H28N2S — CID 79044961

IUPACN-ethyl-2-methyl-1-(5-methylthiophen-2-yl)-2-piperidin-1-ylpropan-1-amine
SMILESCCNC(c1ccc(C)s1)C(C)(C)N1CCCCC1
InChIInChI=1S/C16H28N2S/c1-5-17-15(14-10-9-13(2)19-14)16(3,4)18-11-7-6-8-12-18/h9-10,15,17H,5-8,11-12H2,1-4H3
InChIKeyIHMVRZOHKSZNIF-UHFFFAOYSA-N
MW280.48 g/mol
LogP3.97
Rot. Bonds5

About N-ethyl-2-methyl-1-(5-methylthiophen-2-yl)-2-piperidin-1-ylpropan-1-amine

N-ethyl-2-methyl-1-(5-methylthiophen-2-yl)-2-piperidin-1-ylpropan-1-amine (PubChem CID 79044961) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is N-ethyl-2-methyl-1-(5-methylthiophen-2-yl)-2-piperidin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-1-(5-methylthiophen-2-yl)-2-piperidin-1-ylpropan-1-amine
PubChem CID79044961
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC NameN-ethyl-2-methyl-1-(5-methylthiophen-2-yl)-2-piperidin-1-ylpropan-1-amine
SMILESCCNC(c1ccc(C)s1)C(C)(C)N1CCCCC1
InChIInChI=1S/C16H28N2S/c1-5-17-15(14-10-9-13(2)19-14)16(3,4)18-11-7-6-8-12-18/h9-10,15,17H,5-8,11-12H2,1-4H3
InChIKeyIHMVRZOHKSZNIF-UHFFFAOYSA-N
XLogP3.97
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 ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,2-diethyl-1-(5-methylthiophen-2-yl)-2-pyrrolidin-1-ylbutan-1-amine
CID 79068315
[2-methyl-1-(5-methylthiophen-2-yl)-2-pyrrolidin-1-ylpropyl]hydrazine
CID 105239553
2-(azepan-1-yl)-N-ethyl-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 79051539
N-ethyl-2-methyl-1-(4-methylphenyl)-2-piperidin-1-ylpropan-1-amine
CID 79045339
2-(azepan-1-yl)-2-methyl-1-(5-methylthiophen-2-yl)propan-1-ol
CID 79052267
2-(azepan-1-yl)-N-ethyl-2-methyl-1-(2-methylthiophen-3-yl)propan-1-amine
CID 102833059
N-ethyl-2-methyl-1-(4-methylphenyl)-2-pyrrolidin-1-ylpropan-1-amine
CID 79056899
N-ethyl-2-methyl-2-piperidin-1-yl-1-thiophen-3-ylpropan-1-amine
CID 79045109
2-(azepan-1-yl)-N-ethyl-1-(furan-2-yl)-2-methylpropan-1-amine
CID 79050582
1-(2,6-difluorophenyl)-N-ethyl-2-methyl-2-piperidin-1-ylpropan-1-amine
CID 79052030
N-ethyl-2-methoxy-2-methyl-1-(5-methylthiophen-2-yl)butan-1-amine
CID 116758104
2-(azepan-1-yl)-2-methyl-N-propyl-1-thiophen-2-ylpropan-1-amine
CID 79052153

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-1-(5-methylthiophen-2-yl)-2-piperidin-1-ylpropan-1-amine?
The IUPAC name of N-ethyl-2-methyl-1-(5-methylthiophen-2-yl)-2-piperidin-1-ylpropan-1-amine (CID 79044961) is N-ethyl-2-methyl-1-(5-methylthiophen-2-yl)-2-piperidin-1-ylpropan-1-amine.
What is the SMILES notation for N-ethyl-2-methyl-1-(5-methylthiophen-2-yl)-2-piperidin-1-ylpropan-1-amine?
The canonical SMILES for N-ethyl-2-methyl-1-(5-methylthiophen-2-yl)-2-piperidin-1-ylpropan-1-amine is CCNC(c1ccc(C)s1)C(C)(C)N1CCCCC1.
What is the InChIKey of N-ethyl-2-methyl-1-(5-methylthiophen-2-yl)-2-piperidin-1-ylpropan-1-amine?
The InChIKey is IHMVRZOHKSZNIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-5-17-15(14-10-9-13(2)19-14)16(3,4)18-11-7-6-8-12-18/h9-10,15,17H,5-8,11-12H2,1-4H3.
What are the key properties of N-ethyl-2-methyl-1-(5-methylthiophen-2-yl)-2-piperidin-1-ylpropan-1-amine?
N-ethyl-2-methyl-1-(5-methylthiophen-2-yl)-2-piperidin-1-ylpropan-1-amine has a molecular weight of 280.48 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-1-(5-methylthiophen-2-yl)-2-piperidin-1-ylpropan-1-amine is sourced from PubChem (CID 79044961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).