N-(2-methoxyethyl)-4-methyl-1-[(2-methylthiolan-2-yl)methyl]imidazol-2-amine

C13H23N3OS — CID 106578192

IUPACN-(2-methoxyethyl)-4-methyl-1-[(2-methylthiolan-2-yl)methyl]imidazol-2-amine
SMILESCOCCNc1nc(C)cn1CC1(C)CCCS1
InChIInChI=1S/C13H23N3OS/c1-11-9-16(10-13(2)5-4-8-18-13)12(15-11)14-6-7-17-3/h9H,4-8,10H2,1-3H3,(H,14,15)
InChIKeyUAWKPIWFDODCLU-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.54
Rot. Bonds6

About N-(2-methoxyethyl)-4-methyl-1-[(2-methylthiolan-2-yl)methyl]imidazol-2-amine

N-(2-methoxyethyl)-4-methyl-1-[(2-methylthiolan-2-yl)methyl]imidazol-2-amine (PubChem CID 106578192) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-methyl-1-[(2-methylthiolan-2-yl)methyl]imidazol-2-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-methyl-1-[(2-methylthiolan-2-yl)methyl]imidazol-2-amine
PubChem CID106578192
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC NameN-(2-methoxyethyl)-4-methyl-1-[(2-methylthiolan-2-yl)methyl]imidazol-2-amine
SMILESCOCCNc1nc(C)cn1CC1(C)CCCS1
InChIInChI=1S/C13H23N3OS/c1-11-9-16(10-13(2)5-4-8-18-13)12(15-11)14-6-7-17-3/h9H,4-8,10H2,1-3H3,(H,14,15)
InChIKeyUAWKPIWFDODCLU-UHFFFAOYSA-N
XLogP2.54
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.54
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-cyclopropyl-4-methyl-1-[(2-methylthiolan-2-yl)methyl]imidazol-2-amine
CID 106578219
1-(1-methoxypropan-2-yl)-4-methyl-N-[(2-methylthiolan-2-yl)methyl]imidazol-2-amine
CID 106578180
1-(cyclopropylmethyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106555207
N-(2-methoxyethyl)-4-methyl-1-(3-pyrrolidin-1-ylpropyl)imidazol-2-amine
CID 106572059
1-(2-cyclopropylethyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106575804
N-(2-methoxyethyl)-4-methyl-1-[(2-methylphenyl)methyl]imidazol-2-amine
CID 106563145
N-(2-cyclopentyloxyethyl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106573155
N-(3-ethoxypropyl)-1-[(2-methylthiolan-2-yl)methyl]imidazol-2-amine
CID 106578191
1-[(1-ethylpyrrolidin-2-yl)methyl]-N-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106559626
N-(2-methoxyethyl)-4-methyl-1-(3-methylsulfinylbutyl)imidazol-2-amine
CID 106580263
1-(2-methoxyethyl)-4-methyl-N-octylimidazol-2-amine
CID 106578866
N-[2-(2-methoxyethoxy)ethyl]-4-methyl-1-propylimidazol-2-amine
CID 106564440

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-methyl-1-[(2-methylthiolan-2-yl)methyl]imidazol-2-amine?
The IUPAC name of N-(2-methoxyethyl)-4-methyl-1-[(2-methylthiolan-2-yl)methyl]imidazol-2-amine (CID 106578192) is N-(2-methoxyethyl)-4-methyl-1-[(2-methylthiolan-2-yl)methyl]imidazol-2-amine.
What is the SMILES notation for N-(2-methoxyethyl)-4-methyl-1-[(2-methylthiolan-2-yl)methyl]imidazol-2-amine?
The canonical SMILES for N-(2-methoxyethyl)-4-methyl-1-[(2-methylthiolan-2-yl)methyl]imidazol-2-amine is COCCNc1nc(C)cn1CC1(C)CCCS1.
What is the InChIKey of N-(2-methoxyethyl)-4-methyl-1-[(2-methylthiolan-2-yl)methyl]imidazol-2-amine?
The InChIKey is UAWKPIWFDODCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-11-9-16(10-13(2)5-4-8-18-13)12(15-11)14-6-7-17-3/h9H,4-8,10H2,1-3H3,(H,14,15).
What are the key properties of N-(2-methoxyethyl)-4-methyl-1-[(2-methylthiolan-2-yl)methyl]imidazol-2-amine?
N-(2-methoxyethyl)-4-methyl-1-[(2-methylthiolan-2-yl)methyl]imidazol-2-amine has a molecular weight of 269.41 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-methyl-1-[(2-methylthiolan-2-yl)methyl]imidazol-2-amine is sourced from PubChem (CID 106578192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).