2-methoxy-N-[[1-(2-methylsulfanylethyl)imidazol-4-yl]methyl]ethanamine

C10H19N3OS — CID 106720343

IUPAC2-methoxy-N-[[1-(2-methylsulfanylethyl)imidazol-4-yl]methyl]ethanamine
SMILESCOCCNCc1cn(CCSC)cn1
InChIInChI=1S/C10H19N3OS/c1-14-5-3-11-7-10-8-13(9-12-10)4-6-15-2/h8-9,11H,3-7H2,1-2H3
InChIKeyVVFDDHAYVIXBBV-UHFFFAOYSA-N
MW229.35 g/mol
LogP0.98
Rot. Bonds8

About 2-methoxy-N-[[1-(2-methylsulfanylethyl)imidazol-4-yl]methyl]ethanamine

2-methoxy-N-[[1-(2-methylsulfanylethyl)imidazol-4-yl]methyl]ethanamine (PubChem CID 106720343) has the molecular formula C10H19N3OS and a molecular weight of 229.35 g/mol. Its IUPAC name is 2-methoxy-N-[[1-(2-methylsulfanylethyl)imidazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[1-(2-methylsulfanylethyl)imidazol-4-yl]methyl]ethanamine
PubChem CID106720343
Molecular FormulaC10H19N3OS
Molecular Weight229.35 g/mol
Exact Mass229.12
IUPAC Name2-methoxy-N-[[1-(2-methylsulfanylethyl)imidazol-4-yl]methyl]ethanamine
SMILESCOCCNCc1cn(CCSC)cn1
InChIInChI=1S/C10H19N3OS/c1-14-5-3-11-7-10-8-13(9-12-10)4-6-15-2/h8-9,11H,3-7H2,1-2H3
InChIKeyVVFDDHAYVIXBBV-UHFFFAOYSA-N
XLogP0.98
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-{[2-(ethylsulfonyl)-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-N-methylethanamine
CID 42289096
N-[(1-isobutyl-1H-imidazol-5-yl)methyl]tetrahydrothiophen-3-amine
CID 50953742
N-[(1-isobutyl-1H-imidazol-5-yl)methyl]tetrahydro-2H-thiopyran-4-amine
CID 50982954
2-[1-(2-Methoxyethyl)-5-methyl-1H-imidazol-2-YL]ethan-1-amine
CID 86820595
N-{2-[1-(2-Methoxyethyl)-5-methyl-1H-imidazol-2-YL]ethyl}propane-1-sulfonamide
CID 91923947
N-[2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethyl]ethanesulfonamide
CID 91923948
N-[(3-methylimidazol-4-yl)methyl]-3-morpholin-4-ylbutan-2-amine
CID 119123822
N-{[1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}propane-2-sulfonamide
CID 131937458
(2S)-N-[(1-ethylimidazol-4-yl)methyl]-3-methoxybutan-2-amine
CID 138020874
4-[[Bis(2-methoxyethyl)amino]methyl]imidazole-1-sulfinyl fluoride
CID 53967851
5-[[Bis(2-methoxyethyl)amino]methyl]imidazole-1-sulfinyl fluoride
CID 53990728
2-ethylsulfanyl-N-(2-ethylsulfanylethyl)-N-(1H-imidazol-5-ylmethyl)ethanamine
CID 155934067

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[1-(2-methylsulfanylethyl)imidazol-4-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[1-(2-methylsulfanylethyl)imidazol-4-yl]methyl]ethanamine (CID 106720343) is 2-methoxy-N-[[1-(2-methylsulfanylethyl)imidazol-4-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[1-(2-methylsulfanylethyl)imidazol-4-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[1-(2-methylsulfanylethyl)imidazol-4-yl]methyl]ethanamine is COCCNCc1cn(CCSC)cn1.
What is the InChIKey of 2-methoxy-N-[[1-(2-methylsulfanylethyl)imidazol-4-yl]methyl]ethanamine?
The InChIKey is VVFDDHAYVIXBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3OS/c1-14-5-3-11-7-10-8-13(9-12-10)4-6-15-2/h8-9,11H,3-7H2,1-2H3.
What are the key properties of 2-methoxy-N-[[1-(2-methylsulfanylethyl)imidazol-4-yl]methyl]ethanamine?
2-methoxy-N-[[1-(2-methylsulfanylethyl)imidazol-4-yl]methyl]ethanamine has a molecular weight of 229.35 g/mol, XLogP of 0.98, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[1-(2-methylsulfanylethyl)imidazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 106720343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).