N-[1-(5-ethylthiophen-2-yl)ethyl]-N-(piperidin-2-ylmethyl)propan-2-amine

C17H30N2S — CID 106622235

IUPACN-[1-(5-ethylthiophen-2-yl)ethyl]-N-(piperidin-2-ylmethyl)propan-2-amine
SMILESCCc1ccc(C(C)N(CC2CCCCN2)C(C)C)s1
InChIInChI=1S/C17H30N2S/c1-5-16-9-10-17(20-16)14(4)19(13(2)3)12-15-8-6-7-11-18-15/h9-10,13-15,18H,5-8,11-12H2,1-4H3
InChIKeyFMZLQADRKYQDED-UHFFFAOYSA-N
MW294.51 g/mol
LogP4.22
Rot. Bonds6

About N-[1-(5-ethylthiophen-2-yl)ethyl]-N-(piperidin-2-ylmethyl)propan-2-amine

N-[1-(5-ethylthiophen-2-yl)ethyl]-N-(piperidin-2-ylmethyl)propan-2-amine (PubChem CID 106622235) has the molecular formula C17H30N2S and a molecular weight of 294.51 g/mol. Its IUPAC name is N-[1-(5-ethylthiophen-2-yl)ethyl]-N-(piperidin-2-ylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-[1-(5-ethylthiophen-2-yl)ethyl]-N-(piperidin-2-ylmethyl)propan-2-amine
PubChem CID106622235
Molecular FormulaC17H30N2S
Molecular Weight294.51 g/mol
Exact Mass294.21
IUPAC NameN-[1-(5-ethylthiophen-2-yl)ethyl]-N-(piperidin-2-ylmethyl)propan-2-amine
SMILESCCc1ccc(C(C)N(CC2CCCCN2)C(C)C)s1
InChIInChI=1S/C17H30N2S/c1-5-16-9-10-17(20-16)14(4)19(13(2)3)12-15-8-6-7-11-18-15/h9-10,13-15,18H,5-8,11-12H2,1-4H3
InChIKeyFMZLQADRKYQDED-UHFFFAOYSA-N
XLogP4.22
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.51
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(5-ethylthiophen-2-yl)ethyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106605605
N-[1-(4-bromothiophen-2-yl)ethyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 107355089
N-(piperidin-2-ylmethyl)-N-(1-pyridin-4-ylethyl)propan-2-amine
CID 106622229
N-[1-(5-methylthiophen-2-yl)ethyl]-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106623202
N-[1-(2-bromophenyl)ethyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106621969
2-[1-[piperidin-2-ylmethyl(propan-2-yl)amino]ethyl]benzene-1,4-diol
CID 106622226
N-[1-(5-bromothiophen-2-yl)ethyl]-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106623215
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106622163
N-[1-(2-chloro-4-fluorophenyl)ethyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106622086
3-fluoro-4-[1-[piperidin-2-ylmethyl(propan-2-yl)amino]ethyl]phenol
CID 107720853
N-[(5-ethylthiophen-2-yl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106598928
1-(2-fluorophenyl)-N-(piperidin-2-ylmethyl)-N-propan-2-ylpropan-2-amine
CID 106622166

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-ethylthiophen-2-yl)ethyl]-N-(piperidin-2-ylmethyl)propan-2-amine?
The IUPAC name of N-[1-(5-ethylthiophen-2-yl)ethyl]-N-(piperidin-2-ylmethyl)propan-2-amine (CID 106622235) is N-[1-(5-ethylthiophen-2-yl)ethyl]-N-(piperidin-2-ylmethyl)propan-2-amine.
What is the SMILES notation for N-[1-(5-ethylthiophen-2-yl)ethyl]-N-(piperidin-2-ylmethyl)propan-2-amine?
The canonical SMILES for N-[1-(5-ethylthiophen-2-yl)ethyl]-N-(piperidin-2-ylmethyl)propan-2-amine is CCc1ccc(C(C)N(CC2CCCCN2)C(C)C)s1.
What is the InChIKey of N-[1-(5-ethylthiophen-2-yl)ethyl]-N-(piperidin-2-ylmethyl)propan-2-amine?
The InChIKey is FMZLQADRKYQDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2S/c1-5-16-9-10-17(20-16)14(4)19(13(2)3)12-15-8-6-7-11-18-15/h9-10,13-15,18H,5-8,11-12H2,1-4H3.
What are the key properties of N-[1-(5-ethylthiophen-2-yl)ethyl]-N-(piperidin-2-ylmethyl)propan-2-amine?
N-[1-(5-ethylthiophen-2-yl)ethyl]-N-(piperidin-2-ylmethyl)propan-2-amine has a molecular weight of 294.51 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-ethylthiophen-2-yl)ethyl]-N-(piperidin-2-ylmethyl)propan-2-amine is sourced from PubChem (CID 106622235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).