N-[2-(3-methyl-2-pyridinyl)-1-thiophen-3-ylethyl]propan-1-amine

C15H20N2S — CID 66447481

IUPACN-[2-(3-methyl-2-pyridinyl)-1-thiophen-3-ylethyl]propan-1-amine
SMILESCCCNC(Cc1ncccc1C)c1ccsc1
InChIInChI=1S/C15H20N2S/c1-3-7-16-15(13-6-9-18-11-13)10-14-12(2)5-4-8-17-14/h4-6,8-9,11,15-16H,3,7,10H2,1-2H3
InChIKeyUXCYLMKVJLJWAB-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.73
Rot. Bonds6

About N-[2-(3-methyl-2-pyridinyl)-1-thiophen-3-ylethyl]propan-1-amine

N-[2-(3-methyl-2-pyridinyl)-1-thiophen-3-ylethyl]propan-1-amine (PubChem CID 66447481) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is N-[2-(3-methyl-2-pyridinyl)-1-thiophen-3-ylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(3-methyl-2-pyridinyl)-1-thiophen-3-ylethyl]propan-1-amine
PubChem CID66447481
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC NameN-[2-(3-methyl-2-pyridinyl)-1-thiophen-3-ylethyl]propan-1-amine
SMILESCCCNC(Cc1ncccc1C)c1ccsc1
InChIInChI=1S/C15H20N2S/c1-3-7-16-15(13-6-9-18-11-13)10-14-12(2)5-4-8-17-14/h4-6,8-9,11,15-16H,3,7,10H2,1-2H3
InChIKeyUXCYLMKVJLJWAB-UHFFFAOYSA-N
XLogP3.73
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(furan-2-yl)-2-(3-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 66446112
N-[2-(3,4-dimethylphenyl)-1-thiophen-3-ylethyl]propan-1-amine
CID 63413251
1-(3-methyl-2-pyridinyl)-N-propylbutan-2-amine
CID 63202116
N-[1-(5-bromo-2-methylphenyl)-2-(3-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 66448648
N-[1-(2-methoxyphenyl)-2-(3-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 66447483
1-(3-methyl-2-pyridinyl)-N-propylpentan-2-amine
CID 63198506
N-[2-(4-iodophenyl)-1-thiophen-3-ylethyl]propan-1-amine
CID 65477900
N-[2-(2,3-difluorophenyl)-1-thiophen-3-ylethyl]propan-1-amine
CID 55095017
N-[2-(3-bromophenyl)-1-thiophen-3-ylethyl]propan-1-amine
CID 60820051
N-[2-(3-bromothiophen-2-yl)-1-thiophen-3-ylethyl]propan-1-amine
CID 62602066
N-propyl-1-thiophen-3-yloctan-1-amine
CID 63412772
1-cyclopropyl-3-(3-methyl-2-pyridinyl)-N-propylpropan-2-amine
CID 66446508

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methyl-2-pyridinyl)-1-thiophen-3-ylethyl]propan-1-amine?
The IUPAC name of N-[2-(3-methyl-2-pyridinyl)-1-thiophen-3-ylethyl]propan-1-amine (CID 66447481) is N-[2-(3-methyl-2-pyridinyl)-1-thiophen-3-ylethyl]propan-1-amine.
What is the SMILES notation for N-[2-(3-methyl-2-pyridinyl)-1-thiophen-3-ylethyl]propan-1-amine?
The canonical SMILES for N-[2-(3-methyl-2-pyridinyl)-1-thiophen-3-ylethyl]propan-1-amine is CCCNC(Cc1ncccc1C)c1ccsc1.
What is the InChIKey of N-[2-(3-methyl-2-pyridinyl)-1-thiophen-3-ylethyl]propan-1-amine?
The InChIKey is UXCYLMKVJLJWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-3-7-16-15(13-6-9-18-11-13)10-14-12(2)5-4-8-17-14/h4-6,8-9,11,15-16H,3,7,10H2,1-2H3.
What are the key properties of N-[2-(3-methyl-2-pyridinyl)-1-thiophen-3-ylethyl]propan-1-amine?
N-[2-(3-methyl-2-pyridinyl)-1-thiophen-3-ylethyl]propan-1-amine has a molecular weight of 260.41 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methyl-2-pyridinyl)-1-thiophen-3-ylethyl]propan-1-amine is sourced from PubChem (CID 66447481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).