2-methoxy-N-[[1-(3-methylsulfanylcyclopentyl)imidazol-4-yl]methyl]ethanamine

C13H23N3OS — CID 114204651

IUPAC2-methoxy-N-[[1-(3-methylsulfanylcyclopentyl)imidazol-4-yl]methyl]ethanamine
SMILESCOCCNCc1cn(C2CCC(SC)C2)cn1
InChIInChI=1S/C13H23N3OS/c1-17-6-5-14-8-11-9-16(10-15-11)12-3-4-13(7-12)18-2/h9-10,12-14H,3-8H2,1-2H3
InChIKeyJLFFKBFTKRITTC-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.08
Rot. Bonds7

About 2-methoxy-N-[[1-(3-methylsulfanylcyclopentyl)imidazol-4-yl]methyl]ethanamine

2-methoxy-N-[[1-(3-methylsulfanylcyclopentyl)imidazol-4-yl]methyl]ethanamine (PubChem CID 114204651) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is 2-methoxy-N-[[1-(3-methylsulfanylcyclopentyl)imidazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[1-(3-methylsulfanylcyclopentyl)imidazol-4-yl]methyl]ethanamine
PubChem CID114204651
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC Name2-methoxy-N-[[1-(3-methylsulfanylcyclopentyl)imidazol-4-yl]methyl]ethanamine
SMILESCOCCNCc1cn(C2CCC(SC)C2)cn1
InChIInChI=1S/C13H23N3OS/c1-17-6-5-14-8-11-9-16(10-15-11)12-3-4-13(7-12)18-2/h9-10,12-14H,3-8H2,1-2H3
InChIKeyJLFFKBFTKRITTC-UHFFFAOYSA-N
XLogP2.08
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.08
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

4-(chloromethyl)-1-(3-methylsulfanylcyclopentyl)imidazole
CID 130482764
N-[[1-(2-bicyclo[2.2.1]heptanylmethyl)imidazol-4-yl]methyl]-2-methoxyethanamine
CID 106720621
2-methoxy-N-[[1-(3-methylbutyl)imidazol-4-yl]methyl]ethanamine
CID 106720362
N-cyclopropyl-2-[4-[(2-methoxyethylamino)methyl]imidazol-1-yl]-N-methylacetamide
CID 106720377
N-[[1-(3,3-dimethylcyclopentyl)imidazol-4-yl]methyl]propan-1-amine
CID 114204521
2-methoxy-N-[[1-(3-propoxypropyl)imidazol-4-yl]methyl]ethanamine
CID 114204437
2-methyl-N-[[1-(oxolan-3-yl)imidazol-4-yl]methyl]propan-1-amine
CID 106720066
N-(2-methoxyethyl)-2-[4-[(2-methoxyethylamino)methyl]imidazol-1-yl]acetamide
CID 106720510
2-methoxy-N-[[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]methyl]ethanamine
CID 106720459
4-[4-[(2-methoxyethylamino)methyl]imidazol-1-yl]butanenitrile
CID 106720634
N-[[1-(2-methoxyethyl)imidazol-4-yl]methyl]propan-1-amine
CID 106719021
N-[[1-(3-imidazol-1-ylpropyl)imidazol-4-yl]methyl]-2-methoxyethanamine
CID 106720542

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[1-(3-methylsulfanylcyclopentyl)imidazol-4-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[1-(3-methylsulfanylcyclopentyl)imidazol-4-yl]methyl]ethanamine (CID 114204651) is 2-methoxy-N-[[1-(3-methylsulfanylcyclopentyl)imidazol-4-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[1-(3-methylsulfanylcyclopentyl)imidazol-4-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[1-(3-methylsulfanylcyclopentyl)imidazol-4-yl]methyl]ethanamine is COCCNCc1cn(C2CCC(SC)C2)cn1.
What is the InChIKey of 2-methoxy-N-[[1-(3-methylsulfanylcyclopentyl)imidazol-4-yl]methyl]ethanamine?
The InChIKey is JLFFKBFTKRITTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-17-6-5-14-8-11-9-16(10-15-11)12-3-4-13(7-12)18-2/h9-10,12-14H,3-8H2,1-2H3.
What are the key properties of 2-methoxy-N-[[1-(3-methylsulfanylcyclopentyl)imidazol-4-yl]methyl]ethanamine?
2-methoxy-N-[[1-(3-methylsulfanylcyclopentyl)imidazol-4-yl]methyl]ethanamine has a molecular weight of 269.41 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[1-(3-methylsulfanylcyclopentyl)imidazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 114204651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).