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

C16H28N2S — CID 106623202

IUPACN-[1-(5-methylthiophen-2-yl)ethyl]-N-(piperidin-2-ylmethyl)propan-1-amine
SMILESCCCN(CC1CCCCN1)C(C)c1ccc(C)s1
InChIInChI=1S/C16H28N2S/c1-4-11-18(12-15-7-5-6-10-17-15)14(3)16-9-8-13(2)19-16/h8-9,14-15,17H,4-7,10-12H2,1-3H3
InChIKeyIOOIDAIBXVXJGR-UHFFFAOYSA-N
MW280.48 g/mol
LogP3.97
Rot. Bonds6

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

N-[1-(5-methylthiophen-2-yl)ethyl]-N-(piperidin-2-ylmethyl)propan-1-amine (PubChem CID 106623202) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is N-[1-(5-methylthiophen-2-yl)ethyl]-N-(piperidin-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-[1-(5-methylthiophen-2-yl)ethyl]-N-(piperidin-2-ylmethyl)propan-1-amine
PubChem CID106623202
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC NameN-[1-(5-methylthiophen-2-yl)ethyl]-N-(piperidin-2-ylmethyl)propan-1-amine
SMILESCCCN(CC1CCCCN1)C(C)c1ccc(C)s1
InChIInChI=1S/C16H28N2S/c1-4-11-18(12-15-7-5-6-10-17-15)14(3)16-9-8-13(2)19-16/h8-9,14-15,17H,4-7,10-12H2,1-3H3
InChIKeyIOOIDAIBXVXJGR-UHFFFAOYSA-N
XLogP3.97
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 ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(5-bromothiophen-2-yl)ethyl]-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106623215
N-[1-(5-chlorothiophen-2-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106604631
N-[1-(2-fluorophenyl)ethyl]-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106623204
4-methyl-2-[1-[piperidin-2-ylmethyl(propyl)amino]ethyl]phenol
CID 106623363
N-[1-(3,5-difluorophenyl)ethyl]-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106623383
N-(piperidin-2-ylmethyl)-N-(1-pyridin-2-ylethyl)propan-1-amine
CID 106623353
N-[1-(5-ethylthiophen-2-yl)ethyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106605605
N-[1-(5-ethylthiophen-2-yl)ethyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106622235
N-[1-(2-bromophenyl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106603813
N-(piperidin-2-ylmethyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 106623523
1-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)-N-propylpropan-1-amine
CID 106623207
N-(piperidin-2-ylmethyl)-N-propyloctan-2-amine
CID 106623511

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methylthiophen-2-yl)ethyl]-N-(piperidin-2-ylmethyl)propan-1-amine?
The IUPAC name of N-[1-(5-methylthiophen-2-yl)ethyl]-N-(piperidin-2-ylmethyl)propan-1-amine (CID 106623202) is N-[1-(5-methylthiophen-2-yl)ethyl]-N-(piperidin-2-ylmethyl)propan-1-amine.
What is the SMILES notation for N-[1-(5-methylthiophen-2-yl)ethyl]-N-(piperidin-2-ylmethyl)propan-1-amine?
The canonical SMILES for N-[1-(5-methylthiophen-2-yl)ethyl]-N-(piperidin-2-ylmethyl)propan-1-amine is CCCN(CC1CCCCN1)C(C)c1ccc(C)s1.
What is the InChIKey of N-[1-(5-methylthiophen-2-yl)ethyl]-N-(piperidin-2-ylmethyl)propan-1-amine?
The InChIKey is IOOIDAIBXVXJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-4-11-18(12-15-7-5-6-10-17-15)14(3)16-9-8-13(2)19-16/h8-9,14-15,17H,4-7,10-12H2,1-3H3.
What are the key properties of N-[1-(5-methylthiophen-2-yl)ethyl]-N-(piperidin-2-ylmethyl)propan-1-amine?
N-[1-(5-methylthiophen-2-yl)ethyl]-N-(piperidin-2-ylmethyl)propan-1-amine has a molecular weight of 280.48 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methylthiophen-2-yl)ethyl]-N-(piperidin-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 106623202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).