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

C9H17N3S — CID 106718518

IUPAC1-[1-(2-ethylsulfanylethyl)imidazol-4-yl]-N-methylmethanamine
SMILESCCSCCn1cnc(CNC)c1
InChIInChI=1S/C9H17N3S/c1-3-13-5-4-12-7-9(6-10-2)11-8-12/h7-8,10H,3-6H2,1-2H3
InChIKeyBTDHGOKPXLQKAA-UHFFFAOYSA-N
MW199.32 g/mol
LogP1.36
Rot. Bonds6

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

1-[1-(2-ethylsulfanylethyl)imidazol-4-yl]-N-methylmethanamine (PubChem CID 106718518) has the molecular formula C9H17N3S and a molecular weight of 199.32 g/mol. Its IUPAC name is 1-[1-(2-ethylsulfanylethyl)imidazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(2-ethylsulfanylethyl)imidazol-4-yl]-N-methylmethanamine
PubChem CID106718518
Molecular FormulaC9H17N3S
Molecular Weight199.32 g/mol
Exact Mass199.11
IUPAC Name1-[1-(2-ethylsulfanylethyl)imidazol-4-yl]-N-methylmethanamine
SMILESCCSCCn1cnc(CNC)c1
InChIInChI=1S/C9H17N3S/c1-3-13-5-4-12-7-9(6-10-2)11-8-12/h7-8,10H,3-6H2,1-2H3
InChIKeyBTDHGOKPXLQKAA-UHFFFAOYSA-N
XLogP1.36
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-4-[4-(methylaminomethyl)imidazol-1-yl]butan-2-ol
CID 106718552
1-[1-[2-(2-methoxyethoxy)ethyl]imidazol-4-yl]-N-methylmethanamine
CID 106718477
1-[1-(2,2-difluoroethyl)imidazol-4-yl]-N-methylmethanamine
CID 106718378
2-methyl-N-[3-[4-(methylaminomethyl)imidazol-1-yl]propyl]propanamide
CID 142616156
1-(3-ethylsulfanylpropyl)imidazol-4-amine
CID 165483035
1-[1-[2-(3-methoxypropoxy)ethyl]imidazol-4-yl]-N-methylmethanamine
CID 106718210
N-methyl-1-[1-(2-methylpentyl)imidazol-4-yl]methanamine
CID 106718313
1-[1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]imidazol-4-yl]-N-methylmethanamine
CID 106718245
N-[[1-(2-tert-butylsulfanylethyl)imidazol-4-yl]methyl]propan-2-amine
CID 114271401
1-[1-[2-(3-bromophenoxy)ethyl]imidazol-4-yl]-N-methylmethanamine
CID 106718361
1-[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]-N-methylmethanamine
CID 83894862
N-methyl-1-[1-[(5-methyl-3-pyridinyl)methyl]imidazol-4-yl]methanamine
CID 106718523

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-ethylsulfanylethyl)imidazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(2-ethylsulfanylethyl)imidazol-4-yl]-N-methylmethanamine (CID 106718518) is 1-[1-(2-ethylsulfanylethyl)imidazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(2-ethylsulfanylethyl)imidazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(2-ethylsulfanylethyl)imidazol-4-yl]-N-methylmethanamine is CCSCCn1cnc(CNC)c1.
What is the InChIKey of 1-[1-(2-ethylsulfanylethyl)imidazol-4-yl]-N-methylmethanamine?
The InChIKey is BTDHGOKPXLQKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3S/c1-3-13-5-4-12-7-9(6-10-2)11-8-12/h7-8,10H,3-6H2,1-2H3.
What are the key properties of 1-[1-(2-ethylsulfanylethyl)imidazol-4-yl]-N-methylmethanamine?
1-[1-(2-ethylsulfanylethyl)imidazol-4-yl]-N-methylmethanamine has a molecular weight of 199.32 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-ethylsulfanylethyl)imidazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 106718518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).