1-[1-[2-(3-methoxypropoxy)ethyl]imidazol-4-yl]-N-methylmethanamine

C11H21N3O2 — CID 106718210

IUPAC1-[1-[2-(3-methoxypropoxy)ethyl]imidazol-4-yl]-N-methylmethanamine
SMILESCNCc1cn(CCOCCCOC)cn1
InChIInChI=1S/C11H21N3O2/c1-12-8-11-9-14(10-13-11)4-7-16-6-3-5-15-2/h9-10,12H,3-8H2,1-2H3
InChIKeyUNDQCTRVGXMSGX-UHFFFAOYSA-N
MW227.31 g/mol
LogP0.66
Rot. Bonds9

About 1-[1-[2-(3-methoxypropoxy)ethyl]imidazol-4-yl]-N-methylmethanamine

1-[1-[2-(3-methoxypropoxy)ethyl]imidazol-4-yl]-N-methylmethanamine (PubChem CID 106718210) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-[1-[2-(3-methoxypropoxy)ethyl]imidazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[2-(3-methoxypropoxy)ethyl]imidazol-4-yl]-N-methylmethanamine
PubChem CID106718210
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name1-[1-[2-(3-methoxypropoxy)ethyl]imidazol-4-yl]-N-methylmethanamine
SMILESCNCc1cn(CCOCCCOC)cn1
InChIInChI=1S/C11H21N3O2/c1-12-8-11-9-14(10-13-11)4-7-16-6-3-5-15-2/h9-10,12H,3-8H2,1-2H3
InChIKeyUNDQCTRVGXMSGX-UHFFFAOYSA-N
XLogP0.66
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[1-[2-(3-methoxypropoxy)ethyl]imidazol-4-yl]-N-methylmethanamine 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

1-[1-[2-(2-methoxyethoxy)ethyl]imidazol-4-yl]-N-methylmethanamine
CID 106718477
4-(chloromethyl)-1-[2-(3-methoxypropoxy)ethyl]imidazole
CID 106720892
[1-[2-(3-methoxypropoxy)ethyl]imidazol-4-yl]methanol
CID 106717267
N-[[1-(3-methoxypropyl)imidazol-4-yl]methyl]ethanamine
CID 106718702
N-[[1-[3-(2-methoxyethoxy)propyl]imidazol-4-yl]methyl]propan-1-amine
CID 106719077
2-methoxy-N-[[1-(3-propoxypropyl)imidazol-4-yl]methyl]ethanamine
CID 114204437
N-[[1-(2-methoxyethyl)imidazol-4-yl]methyl]propan-1-amine
CID 106719021
[1-(2-methoxyethyl)imidazol-4-yl]methanamine
CID 82467874
N-[[1-(2-propoxyethyl)imidazol-4-yl]methyl]cyclopropanamine
CID 106719730
N-[[1-(2-propoxyethyl)imidazol-4-yl]methyl]propan-2-amine
CID 106719368
2-[1-[3-(2-methoxyethoxy)propyl]imidazol-4-yl]ethanamine
CID 103412214
[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]imidazol-4-yl]methanol
CID 106717261

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(3-methoxypropoxy)ethyl]imidazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[2-(3-methoxypropoxy)ethyl]imidazol-4-yl]-N-methylmethanamine (CID 106718210) is 1-[1-[2-(3-methoxypropoxy)ethyl]imidazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[2-(3-methoxypropoxy)ethyl]imidazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[2-(3-methoxypropoxy)ethyl]imidazol-4-yl]-N-methylmethanamine is CNCc1cn(CCOCCCOC)cn1.
What is the InChIKey of 1-[1-[2-(3-methoxypropoxy)ethyl]imidazol-4-yl]-N-methylmethanamine?
The InChIKey is UNDQCTRVGXMSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-12-8-11-9-14(10-13-11)4-7-16-6-3-5-15-2/h9-10,12H,3-8H2,1-2H3.
What are the key properties of 1-[1-[2-(3-methoxypropoxy)ethyl]imidazol-4-yl]-N-methylmethanamine?
1-[1-[2-(3-methoxypropoxy)ethyl]imidazol-4-yl]-N-methylmethanamine has a molecular weight of 227.31 g/mol, XLogP of 0.66, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(3-methoxypropoxy)ethyl]imidazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 106718210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).