N-[2-(5-methyl-2-pyridinyl)-1-(5-methylthiophen-2-yl)ethyl]propan-1-amine

C16H22N2S — CID 66459653

IUPACN-[2-(5-methyl-2-pyridinyl)-1-(5-methylthiophen-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(C)cn1)c1ccc(C)s1
InChIInChI=1S/C16H22N2S/c1-4-9-17-15(16-8-6-13(3)19-16)10-14-7-5-12(2)11-18-14/h5-8,11,15,17H,4,9-10H2,1-3H3
InChIKeyDMXDCGVJKXLOJV-UHFFFAOYSA-N
MW274.43 g/mol
LogP4.04
Rot. Bonds6

About N-[2-(5-methyl-2-pyridinyl)-1-(5-methylthiophen-2-yl)ethyl]propan-1-amine

N-[2-(5-methyl-2-pyridinyl)-1-(5-methylthiophen-2-yl)ethyl]propan-1-amine (PubChem CID 66459653) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is N-[2-(5-methyl-2-pyridinyl)-1-(5-methylthiophen-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(5-methyl-2-pyridinyl)-1-(5-methylthiophen-2-yl)ethyl]propan-1-amine
PubChem CID66459653
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC NameN-[2-(5-methyl-2-pyridinyl)-1-(5-methylthiophen-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(C)cn1)c1ccc(C)s1
InChIInChI=1S/C16H22N2S/c1-4-9-17-15(16-8-6-13(3)19-16)10-14-7-5-12(2)11-18-14/h5-8,11,15,17H,4,9-10H2,1-3H3
InChIKeyDMXDCGVJKXLOJV-UHFFFAOYSA-N
XLogP4.04
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(5-bromothiophen-2-yl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 66447120
N-[1-(4-iodophenyl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 66448862
N-[1-(4-methoxythiophen-2-yl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 81123059
N-[1-(furan-2-yl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 66459042
N-[1-(2,3-dimethylphenyl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 66459041
N-[2-(5-ethylthiophen-2-yl)-1-(5-methylthiophen-2-yl)ethyl]propan-1-amine
CID 115842479
N-[2-(5-ethyl-2-pyridinyl)-1-(4-methylphenyl)ethyl]propan-1-amine
CID 79732889
N-[1-(3-bromo-4-methylphenyl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 81459587
N-[1-(5-chloro-2-fluorophenyl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 66461658
N-[2-(furan-2-yl)-1-(5-methylthiophen-2-yl)ethyl]propan-1-amine
CID 105029308
N-[1-(3-bromo-4-chlorophenyl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 107989126
N-[1-(2-bromo-4-fluorophenyl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 66446354

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methyl-2-pyridinyl)-1-(5-methylthiophen-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(5-methyl-2-pyridinyl)-1-(5-methylthiophen-2-yl)ethyl]propan-1-amine (CID 66459653) is N-[2-(5-methyl-2-pyridinyl)-1-(5-methylthiophen-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(5-methyl-2-pyridinyl)-1-(5-methylthiophen-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(5-methyl-2-pyridinyl)-1-(5-methylthiophen-2-yl)ethyl]propan-1-amine is CCCNC(Cc1ccc(C)cn1)c1ccc(C)s1.
What is the InChIKey of N-[2-(5-methyl-2-pyridinyl)-1-(5-methylthiophen-2-yl)ethyl]propan-1-amine?
The InChIKey is DMXDCGVJKXLOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-4-9-17-15(16-8-6-13(3)19-16)10-14-7-5-12(2)11-18-14/h5-8,11,15,17H,4,9-10H2,1-3H3.
What are the key properties of N-[2-(5-methyl-2-pyridinyl)-1-(5-methylthiophen-2-yl)ethyl]propan-1-amine?
N-[2-(5-methyl-2-pyridinyl)-1-(5-methylthiophen-2-yl)ethyl]propan-1-amine has a molecular weight of 274.43 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methyl-2-pyridinyl)-1-(5-methylthiophen-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 66459653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).