N-[(3-ethylthiophen-2-yl)methyl]-1-(4-trimethylsilylphenyl)methanamine

C17H25NSSi — CID 103437925

IUPACN-[(3-ethylthiophen-2-yl)methyl]-1-(4-trimethylsilylphenyl)methanamine
SMILESCCc1ccsc1CNCc1ccc([Si](C)(C)C)cc1
InChIInChI=1S/C17H25NSSi/c1-5-15-10-11-19-17(15)13-18-12-14-6-8-16(9-7-14)20(2,3)4/h6-11,18H,5,12-13H2,1-4H3
InChIKeyXMOJLHGAFFAUQA-UHFFFAOYSA-N
MW303.55 g/mol
LogP4.15
Rot. Bonds6

About N-[(3-ethylthiophen-2-yl)methyl]-1-(4-trimethylsilylphenyl)methanamine

N-[(3-ethylthiophen-2-yl)methyl]-1-(4-trimethylsilylphenyl)methanamine (PubChem CID 103437925) has the molecular formula C17H25NSSi and a molecular weight of 303.55 g/mol. Its IUPAC name is N-[(3-ethylthiophen-2-yl)methyl]-1-(4-trimethylsilylphenyl)methanamine.

Molecular Properties

Compound NameN-[(3-ethylthiophen-2-yl)methyl]-1-(4-trimethylsilylphenyl)methanamine
PubChem CID103437925
Molecular FormulaC17H25NSSi
Molecular Weight303.55 g/mol
Exact Mass303.15
IUPAC NameN-[(3-ethylthiophen-2-yl)methyl]-1-(4-trimethylsilylphenyl)methanamine
SMILESCCc1ccsc1CNCc1ccc([Si](C)(C)C)cc1
InChIInChI=1S/C17H25NSSi/c1-5-15-10-11-19-17(15)13-18-12-14-6-8-16(9-7-14)20(2,3)4/h6-11,18H,5,12-13H2,1-4H3
InChIKeyXMOJLHGAFFAUQA-UHFFFAOYSA-N
XLogP4.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.55
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

N-[(3-ethylthiophen-2-yl)methyl]-1-(6-methyl-3-pyridinyl)methanamine
CID 104756498
2,6-dichloro-4-[[(3-ethylthiophen-2-yl)methylamino]methyl]aniline
CID 82841766
N-[(3-ethylthiophen-2-yl)methyl]-1-(1H-indol-6-yl)methanamine
CID 102911461
N-[(3-ethylthiophen-2-yl)methyl]-1-(3-methylfuran-2-yl)methanamine
CID 115690026
N-[(4-chlorophenyl)methyl]-1-(4-trimethylsilylphenyl)methanamine
CID 103437532
N-[(3-ethylthiophen-2-yl)methyl]-1-(3-fluoro-5-nitrophenyl)methanamine
CID 115980528
methyl 2-[5-[[(3-ethylthiophen-2-yl)methylamino]methyl]thiophen-2-yl]acetate
CID 82895050
N-[(3-ethylthiophen-2-yl)methyl]-4-phenylbutan-1-amine
CID 114333451
2-[(3-ethylthiophen-2-yl)methylamino]ethanesulfonamide
CID 114385097
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(4-trimethylsilylphenyl)methanamine
CID 106371023
N-[[4-(aminomethyl)oxan-4-yl]methyl]-1-(3-ethylthiophen-2-yl)methanamine
CID 115440073
2-methyl-N-[(4-trimethylsilylphenyl)methyl]propan-1-amine
CID 103437435

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylthiophen-2-yl)methyl]-1-(4-trimethylsilylphenyl)methanamine?
The IUPAC name of N-[(3-ethylthiophen-2-yl)methyl]-1-(4-trimethylsilylphenyl)methanamine (CID 103437925) is N-[(3-ethylthiophen-2-yl)methyl]-1-(4-trimethylsilylphenyl)methanamine.
What is the SMILES notation for N-[(3-ethylthiophen-2-yl)methyl]-1-(4-trimethylsilylphenyl)methanamine?
The canonical SMILES for N-[(3-ethylthiophen-2-yl)methyl]-1-(4-trimethylsilylphenyl)methanamine is CCc1ccsc1CNCc1ccc([Si](C)(C)C)cc1.
What is the InChIKey of N-[(3-ethylthiophen-2-yl)methyl]-1-(4-trimethylsilylphenyl)methanamine?
The InChIKey is XMOJLHGAFFAUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NSSi/c1-5-15-10-11-19-17(15)13-18-12-14-6-8-16(9-7-14)20(2,3)4/h6-11,18H,5,12-13H2,1-4H3.
What are the key properties of N-[(3-ethylthiophen-2-yl)methyl]-1-(4-trimethylsilylphenyl)methanamine?
N-[(3-ethylthiophen-2-yl)methyl]-1-(4-trimethylsilylphenyl)methanamine has a molecular weight of 303.55 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylthiophen-2-yl)methyl]-1-(4-trimethylsilylphenyl)methanamine is sourced from PubChem (CID 103437925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).