N-[[1-(2-ethylsulfanylethyl)imidazol-4-yl]methyl]-2-methoxyethanamine

C11H21N3OS — CID 106720625

IUPACN-[[1-(2-ethylsulfanylethyl)imidazol-4-yl]methyl]-2-methoxyethanamine
SMILESCCSCCn1cnc(CNCCOC)c1
InChIInChI=1S/C11H21N3OS/c1-3-16-7-5-14-9-11(13-10-14)8-12-4-6-15-2/h9-10,12H,3-8H2,1-2H3
InChIKeyXLGFAZJUHBTQIK-UHFFFAOYSA-N
MW243.38 g/mol
LogP1.37
Rot. Bonds9

About N-[[1-(2-ethylsulfanylethyl)imidazol-4-yl]methyl]-2-methoxyethanamine

N-[[1-(2-ethylsulfanylethyl)imidazol-4-yl]methyl]-2-methoxyethanamine (PubChem CID 106720625) has the molecular formula C11H21N3OS and a molecular weight of 243.38 g/mol. Its IUPAC name is N-[[1-(2-ethylsulfanylethyl)imidazol-4-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[1-(2-ethylsulfanylethyl)imidazol-4-yl]methyl]-2-methoxyethanamine
PubChem CID106720625
Molecular FormulaC11H21N3OS
Molecular Weight243.38 g/mol
Exact Mass243.14
IUPAC NameN-[[1-(2-ethylsulfanylethyl)imidazol-4-yl]methyl]-2-methoxyethanamine
SMILESCCSCCn1cnc(CNCCOC)c1
InChIInChI=1S/C11H21N3OS/c1-3-16-7-5-14-9-11(13-10-14)8-12-4-6-15-2/h9-10,12H,3-8H2,1-2H3
InChIKeyXLGFAZJUHBTQIK-UHFFFAOYSA-N
XLogP1.37
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 51.37
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-{[2-(4-Methyl-1H-imidazol-1-yl)ethyl]sulfanyl}ethan-1-ol
CID 71345702

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-ethylsulfanylethyl)imidazol-4-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[1-(2-ethylsulfanylethyl)imidazol-4-yl]methyl]-2-methoxyethanamine (CID 106720625) is N-[[1-(2-ethylsulfanylethyl)imidazol-4-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[1-(2-ethylsulfanylethyl)imidazol-4-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[1-(2-ethylsulfanylethyl)imidazol-4-yl]methyl]-2-methoxyethanamine is CCSCCn1cnc(CNCCOC)c1.
What is the InChIKey of N-[[1-(2-ethylsulfanylethyl)imidazol-4-yl]methyl]-2-methoxyethanamine?
The InChIKey is XLGFAZJUHBTQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3OS/c1-3-16-7-5-14-9-11(13-10-14)8-12-4-6-15-2/h9-10,12H,3-8H2,1-2H3.
What are the key properties of N-[[1-(2-ethylsulfanylethyl)imidazol-4-yl]methyl]-2-methoxyethanamine?
N-[[1-(2-ethylsulfanylethyl)imidazol-4-yl]methyl]-2-methoxyethanamine has a molecular weight of 243.38 g/mol, XLogP of 1.37, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-ethylsulfanylethyl)imidazol-4-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 106720625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).