N-[[1-(3-ethylsulfanylpropyl)imidazol-4-yl]methyl]-2-methoxyethanamine

C12H23N3OS — CID 106720399

IUPACN-[[1-(3-ethylsulfanylpropyl)imidazol-4-yl]methyl]-2-methoxyethanamine
SMILESCCSCCCn1cnc(CNCCOC)c1
InChIInChI=1S/C12H23N3OS/c1-3-17-8-4-6-15-10-12(14-11-15)9-13-5-7-16-2/h10-11,13H,3-9H2,1-2H3
InChIKeyIRXMFCAAONYXGL-UHFFFAOYSA-N
MW257.40 g/mol
LogP1.76
Rot. Bonds10

About N-[[1-(3-ethylsulfanylpropyl)imidazol-4-yl]methyl]-2-methoxyethanamine

N-[[1-(3-ethylsulfanylpropyl)imidazol-4-yl]methyl]-2-methoxyethanamine (PubChem CID 106720399) has the molecular formula C12H23N3OS and a molecular weight of 257.40 g/mol. Its IUPAC name is N-[[1-(3-ethylsulfanylpropyl)imidazol-4-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[1-(3-ethylsulfanylpropyl)imidazol-4-yl]methyl]-2-methoxyethanamine
PubChem CID106720399
Molecular FormulaC12H23N3OS
Molecular Weight257.40 g/mol
Exact Mass257.16
IUPAC NameN-[[1-(3-ethylsulfanylpropyl)imidazol-4-yl]methyl]-2-methoxyethanamine
SMILESCCSCCCn1cnc(CNCCOC)c1
InChIInChI=1S/C12H23N3OS/c1-3-17-8-4-6-15-10-12(14-11-15)9-13-5-7-16-2/h10-11,13H,3-9H2,1-2H3
InChIKeyIRXMFCAAONYXGL-UHFFFAOYSA-N
XLogP1.76
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[[1-(3-ethylsulfanylpropyl)imidazol-4-yl]methyl]-2-methoxyethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
2-ethylsulfanyl-N-(2-ethylsulfanylethyl)-N-(1H-imidazol-5-ylmethyl)ethanamine
CID 155934067
2-(2-Aminoethoxy)ethyl 4-[[bis(2-ethylsulfanylethyl)amino]methyl]imidazole-1-carboxylate
CID 155934069
N-[(3-methylimidazol-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 63000850

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-ethylsulfanylpropyl)imidazol-4-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[1-(3-ethylsulfanylpropyl)imidazol-4-yl]methyl]-2-methoxyethanamine (CID 106720399) is N-[[1-(3-ethylsulfanylpropyl)imidazol-4-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[1-(3-ethylsulfanylpropyl)imidazol-4-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[1-(3-ethylsulfanylpropyl)imidazol-4-yl]methyl]-2-methoxyethanamine is CCSCCCn1cnc(CNCCOC)c1.
What is the InChIKey of N-[[1-(3-ethylsulfanylpropyl)imidazol-4-yl]methyl]-2-methoxyethanamine?
The InChIKey is IRXMFCAAONYXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3OS/c1-3-17-8-4-6-15-10-12(14-11-15)9-13-5-7-16-2/h10-11,13H,3-9H2,1-2H3.
What are the key properties of N-[[1-(3-ethylsulfanylpropyl)imidazol-4-yl]methyl]-2-methoxyethanamine?
N-[[1-(3-ethylsulfanylpropyl)imidazol-4-yl]methyl]-2-methoxyethanamine has a molecular weight of 257.40 g/mol, XLogP of 1.76, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-ethylsulfanylpropyl)imidazol-4-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 106720399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).