N-[(3-ethylthiophen-2-yl)methyl]-1-(6-methyl-3-pyridinyl)methanamine

C14H18N2S — CID 104756498

IUPACN-[(3-ethylthiophen-2-yl)methyl]-1-(6-methyl-3-pyridinyl)methanamine
SMILESCCc1ccsc1CNCc1ccc(C)nc1
InChIInChI=1S/C14H18N2S/c1-3-13-6-7-17-14(13)10-15-8-12-5-4-11(2)16-9-12/h4-7,9,15H,3,8,10H2,1-2H3
InChIKeyJMHYFNJTHOUUHQ-UHFFFAOYSA-N
MW246.38 g/mol
LogP3.30
Rot. Bonds5

About N-[(3-ethylthiophen-2-yl)methyl]-1-(6-methyl-3-pyridinyl)methanamine

N-[(3-ethylthiophen-2-yl)methyl]-1-(6-methyl-3-pyridinyl)methanamine (PubChem CID 104756498) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is N-[(3-ethylthiophen-2-yl)methyl]-1-(6-methyl-3-pyridinyl)methanamine.

Molecular Properties

Compound NameN-[(3-ethylthiophen-2-yl)methyl]-1-(6-methyl-3-pyridinyl)methanamine
PubChem CID104756498
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC NameN-[(3-ethylthiophen-2-yl)methyl]-1-(6-methyl-3-pyridinyl)methanamine
SMILESCCc1ccsc1CNCc1ccc(C)nc1
InChIInChI=1S/C14H18N2S/c1-3-13-6-7-17-14(13)10-15-8-12-5-4-11(2)16-9-12/h4-7,9,15H,3,8,10H2,1-2H3
InChIKeyJMHYFNJTHOUUHQ-UHFFFAOYSA-N
XLogP3.30
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-ethylthiophen-2-yl)methyl]-1-(4-trimethylsilylphenyl)methanamine
CID 103437925
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
5-[[(6-methyl-3-pyridinyl)methylamino]methyl]thiophene-3-carboxamide
CID 79614469
N-[(3-ethylthiophen-2-yl)methyl]-1-(3-methylfuran-2-yl)methanamine
CID 115690026
4-[(3-ethylthiophen-2-yl)methylamino]-6-methylpyridine-3-carboxylic acid
CID 81244415
N-[(1-ethylcyclopropyl)methyl]-1-(6-methyl-3-pyridinyl)methanamine
CID 104756472
2-N-ethyl-2-methyl-1-N-[(6-methyl-3-pyridinyl)methyl]propane-1,2-diamine
CID 134406499
2-fluoro-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
CID 80695988
N-[(6-methyl-3-pyridinyl)methyl]heptan-1-amine
CID 62996508
N-[(6-methyl-3-pyridinyl)methyl]-1,3-thiazole-2-carboxamide
CID 100673789
N-[(3-ethylthiophen-2-yl)methyl]-1-(3-fluoro-5-nitrophenyl)methanamine
CID 115980528

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylthiophen-2-yl)methyl]-1-(6-methyl-3-pyridinyl)methanamine?
The IUPAC name of N-[(3-ethylthiophen-2-yl)methyl]-1-(6-methyl-3-pyridinyl)methanamine (CID 104756498) is N-[(3-ethylthiophen-2-yl)methyl]-1-(6-methyl-3-pyridinyl)methanamine.
What is the SMILES notation for N-[(3-ethylthiophen-2-yl)methyl]-1-(6-methyl-3-pyridinyl)methanamine?
The canonical SMILES for N-[(3-ethylthiophen-2-yl)methyl]-1-(6-methyl-3-pyridinyl)methanamine is CCc1ccsc1CNCc1ccc(C)nc1.
What is the InChIKey of N-[(3-ethylthiophen-2-yl)methyl]-1-(6-methyl-3-pyridinyl)methanamine?
The InChIKey is JMHYFNJTHOUUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-3-13-6-7-17-14(13)10-15-8-12-5-4-11(2)16-9-12/h4-7,9,15H,3,8,10H2,1-2H3.
What are the key properties of N-[(3-ethylthiophen-2-yl)methyl]-1-(6-methyl-3-pyridinyl)methanamine?
N-[(3-ethylthiophen-2-yl)methyl]-1-(6-methyl-3-pyridinyl)methanamine has a molecular weight of 246.38 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylthiophen-2-yl)methyl]-1-(6-methyl-3-pyridinyl)methanamine is sourced from PubChem (CID 104756498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).