N-[(3-ethylthiophen-2-yl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine

C15H21N3OS — CID 105032074

IUPACN-[(3-ethylthiophen-2-yl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1nccnc1OC)c1sccc1CC
InChIInChI=1S/C15H21N3OS/c1-4-7-16-12(14-11(5-2)6-10-20-14)13-15(19-3)18-9-8-17-13/h6,8-10,12,16H,4-5,7H2,1-3H3
InChIKeyCXVMBSNNNZQXHC-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.20
Rot. Bonds7

About N-[(3-ethylthiophen-2-yl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine

N-[(3-ethylthiophen-2-yl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine (PubChem CID 105032074) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is N-[(3-ethylthiophen-2-yl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-ethylthiophen-2-yl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine
PubChem CID105032074
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC NameN-[(3-ethylthiophen-2-yl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1nccnc1OC)c1sccc1CC
InChIInChI=1S/C15H21N3OS/c1-4-7-16-12(14-11(5-2)6-10-20-14)13-15(19-3)18-9-8-17-13/h6,8-10,12,16H,4-5,7H2,1-3H3
InChIKeyCXVMBSNNNZQXHC-UHFFFAOYSA-N
XLogP3.20
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-ethyl-4-pyridinyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine
CID 104516047
N-[(3-ethylthiophen-2-yl)-(4-methoxyphenyl)methyl]propan-1-amine
CID 79985142
N-[(3-methoxypyrazin-2-yl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 105031971
N-[(3,4-dimethylphenyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine
CID 105032115
N-[(3-chlorothiophen-2-yl)-(3,5-dimethoxypyrazin-2-yl)methyl]propan-1-amine
CID 105031226
N-[(3-methoxypyrazin-2-yl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 102923780
N-[(2-ethoxyphenyl)-(3-ethylthiophen-2-yl)methyl]propan-1-amine
CID 115853680
N-[(3-methoxypyrazin-2-yl)-(thiadiazol-5-yl)methyl]propan-1-amine
CID 105178702
N-[(4,5-dimethylthiophen-2-yl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine
CID 105031771
N-[(3-ethylthiophen-2-yl)-(5-fluoro-2-methoxyphenyl)methyl]propan-1-amine
CID 79973511
N-[(3-ethylthiophen-2-yl)-(3-fluoro-4-methoxyphenyl)methyl]propan-1-amine
CID 79971418
N-[(3,5-difluorophenyl)-(3-ethylthiophen-2-yl)methyl]propan-1-amine
CID 115851656

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylthiophen-2-yl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(3-ethylthiophen-2-yl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine (CID 105032074) is N-[(3-ethylthiophen-2-yl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-ethylthiophen-2-yl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-ethylthiophen-2-yl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine is CCCNC(c1nccnc1OC)c1sccc1CC.
What is the InChIKey of N-[(3-ethylthiophen-2-yl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine?
The InChIKey is CXVMBSNNNZQXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-4-7-16-12(14-11(5-2)6-10-20-14)13-15(19-3)18-9-8-17-13/h6,8-10,12,16H,4-5,7H2,1-3H3.
What are the key properties of N-[(3-ethylthiophen-2-yl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine?
N-[(3-ethylthiophen-2-yl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine has a molecular weight of 291.42 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylthiophen-2-yl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 105032074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).