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

C13H25N3O2 — CID 114204437

IUPAC2-methoxy-N-[[1-(3-propoxypropyl)imidazol-4-yl]methyl]ethanamine
SMILESCCCOCCCn1cnc(CNCCOC)c1
InChIInChI=1S/C13H25N3O2/c1-3-7-18-8-4-6-16-11-13(15-12-16)10-14-5-9-17-2/h11-12,14H,3-10H2,1-2H3
InChIKeyKRWFRKUHWQSEEM-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.44
Rot. Bonds11

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

2-methoxy-N-[[1-(3-propoxypropyl)imidazol-4-yl]methyl]ethanamine (PubChem CID 114204437) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-methoxy-N-[[1-(3-propoxypropyl)imidazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[1-(3-propoxypropyl)imidazol-4-yl]methyl]ethanamine
PubChem CID114204437
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name2-methoxy-N-[[1-(3-propoxypropyl)imidazol-4-yl]methyl]ethanamine
SMILESCCCOCCCn1cnc(CNCCOC)c1
InChIInChI=1S/C13H25N3O2/c1-3-7-18-8-4-6-16-11-13(15-12-16)10-14-5-9-17-2/h11-12,14H,3-10H2,1-2H3
InChIKeyKRWFRKUHWQSEEM-UHFFFAOYSA-N
XLogP1.44
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-methoxy-N-[[1-(3-propoxypropyl)imidazol-4-yl]methyl]ethanamine 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-[[1-[3-(2-methoxyethoxy)propyl]imidazol-4-yl]methyl]propan-1-amine
CID 106719077
N-[[1-(3-ethylsulfonylpropyl)imidazol-4-yl]methyl]-2-methoxyethanamine
CID 106720370
2-methoxy-N-[[1-(3-phenoxypropyl)imidazol-4-yl]methyl]ethanamine
CID 106720444
N-[[1-(2-methoxyethyl)imidazol-4-yl]methyl]propan-1-amine
CID 106719021
N-[[1-(3-methoxypropyl)imidazol-4-yl]methyl]ethanamine
CID 106718702
4-[4-[(2-methoxyethylamino)methyl]imidazol-1-yl]butanenitrile
CID 106720634
methyl 4-[4-[(2-methoxyethylamino)methyl]imidazol-1-yl]butanoate
CID 106720528
N-[[1-(3-imidazol-1-ylpropyl)imidazol-4-yl]methyl]-2-methoxyethanamine
CID 106720542
2-methoxy-N-[[1-(3-methylbutyl)imidazol-4-yl]methyl]ethanamine
CID 106720362
2-methoxy-N-[[1-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-4-yl]methyl]ethanamine
CID 106720525
2-methoxy-N-[[1-(2-pyridin-4-ylethyl)imidazol-4-yl]methyl]ethanamine
CID 106720576
1-[1-[2-(3-methoxypropoxy)ethyl]imidazol-4-yl]-N-methylmethanamine
CID 106718210

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[1-(3-propoxypropyl)imidazol-4-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[1-(3-propoxypropyl)imidazol-4-yl]methyl]ethanamine (CID 114204437) is 2-methoxy-N-[[1-(3-propoxypropyl)imidazol-4-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[1-(3-propoxypropyl)imidazol-4-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[1-(3-propoxypropyl)imidazol-4-yl]methyl]ethanamine is CCCOCCCn1cnc(CNCCOC)c1.
What is the InChIKey of 2-methoxy-N-[[1-(3-propoxypropyl)imidazol-4-yl]methyl]ethanamine?
The InChIKey is KRWFRKUHWQSEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-3-7-18-8-4-6-16-11-13(15-12-16)10-14-5-9-17-2/h11-12,14H,3-10H2,1-2H3.
What are the key properties of 2-methoxy-N-[[1-(3-propoxypropyl)imidazol-4-yl]methyl]ethanamine?
2-methoxy-N-[[1-(3-propoxypropyl)imidazol-4-yl]methyl]ethanamine has a molecular weight of 255.36 g/mol, XLogP of 1.44, 11 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-propoxypropyl)imidazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 114204437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).