2-methoxy-N-[[2-methyl-3-(oxan-4-ylmethyl)imidazol-4-yl]methyl]ethanamine

C14H25N3O2 — CID 65172390

IUPAC2-methoxy-N-[[2-methyl-3-(oxan-4-ylmethyl)imidazol-4-yl]methyl]ethanamine
SMILESCOCCNCc1cnc(C)n1CC1CCOCC1
InChIInChI=1S/C14H25N3O2/c1-12-16-10-14(9-15-5-8-18-2)17(12)11-13-3-6-19-7-4-13/h10,13,15H,3-9,11H2,1-2H3
InChIKeyYCVSIMWXOHUDBK-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.35
Rot. Bonds7

About 2-methoxy-N-[[2-methyl-3-(oxan-4-ylmethyl)imidazol-4-yl]methyl]ethanamine

2-methoxy-N-[[2-methyl-3-(oxan-4-ylmethyl)imidazol-4-yl]methyl]ethanamine (PubChem CID 65172390) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-methoxy-N-[[2-methyl-3-(oxan-4-ylmethyl)imidazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[2-methyl-3-(oxan-4-ylmethyl)imidazol-4-yl]methyl]ethanamine
PubChem CID65172390
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name2-methoxy-N-[[2-methyl-3-(oxan-4-ylmethyl)imidazol-4-yl]methyl]ethanamine
SMILESCOCCNCc1cnc(C)n1CC1CCOCC1
InChIInChI=1S/C14H25N3O2/c1-12-16-10-14(9-15-5-8-18-2)17(12)11-13-3-6-19-7-4-13/h10,13,15H,3-9,11H2,1-2H3
InChIKeyYCVSIMWXOHUDBK-UHFFFAOYSA-N
XLogP1.35
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.35
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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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[2-methyl-3-(oxan-4-ylmethyl)imidazol-4-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[2-methyl-3-(oxan-4-ylmethyl)imidazol-4-yl]methyl]ethanamine (CID 65172390) is 2-methoxy-N-[[2-methyl-3-(oxan-4-ylmethyl)imidazol-4-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[2-methyl-3-(oxan-4-ylmethyl)imidazol-4-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[2-methyl-3-(oxan-4-ylmethyl)imidazol-4-yl]methyl]ethanamine is COCCNCc1cnc(C)n1CC1CCOCC1.
What is the InChIKey of 2-methoxy-N-[[2-methyl-3-(oxan-4-ylmethyl)imidazol-4-yl]methyl]ethanamine?
The InChIKey is YCVSIMWXOHUDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-12-16-10-14(9-15-5-8-18-2)17(12)11-13-3-6-19-7-4-13/h10,13,15H,3-9,11H2,1-2H3.
What are the key properties of 2-methoxy-N-[[2-methyl-3-(oxan-4-ylmethyl)imidazol-4-yl]methyl]ethanamine?
2-methoxy-N-[[2-methyl-3-(oxan-4-ylmethyl)imidazol-4-yl]methyl]ethanamine has a molecular weight of 267.37 g/mol, XLogP of 1.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[2-methyl-3-(oxan-4-ylmethyl)imidazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 65172390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).