3-ethoxy-N-[(1-ethylimidazol-2-yl)methyl]propan-1-amine

C11H21N3O — CID 46784365

IUPAC3-ethoxy-N-[(1-ethylimidazol-2-yl)methyl]propan-1-amine
SMILESCCOCCCNCc1nccn1CC
InChIInChI=1S/C11H21N3O/c1-3-14-8-7-13-11(14)10-12-6-5-9-15-4-2/h7-8,12H,3-6,9-10H2,1-2H3
InChIKeyYOFXDAHYMMAFTR-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.42
Rot. Bonds8

About 3-ethoxy-N-[(1-ethylimidazol-2-yl)methyl]propan-1-amine

3-ethoxy-N-[(1-ethylimidazol-2-yl)methyl]propan-1-amine (PubChem CID 46784365) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 3-ethoxy-N-[(1-ethylimidazol-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-[(1-ethylimidazol-2-yl)methyl]propan-1-amine
PubChem CID46784365
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name3-ethoxy-N-[(1-ethylimidazol-2-yl)methyl]propan-1-amine
SMILESCCOCCCNCc1nccn1CC
InChIInChI=1S/C11H21N3O/c1-3-14-8-7-13-11(14)10-12-6-5-9-15-4-2/h7-8,12H,3-6,9-10H2,1-2H3
InChIKeyYOFXDAHYMMAFTR-UHFFFAOYSA-N
XLogP1.42
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.42
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

N-[[1-(3-ethoxypropyl)imidazol-2-yl]methyl]-2-methoxyethanamine
CID 66402286
3-propoxy-N-[(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 82941127
N-[(1-ethylimidazol-2-yl)methyl]propan-1-amine
CID 46784352
N-[(1-ethylimidazol-2-yl)methyl]-3-methylsulfonylpropan-1-amine
CID 62350841
2-cyclohexyl-N-[(1-ethylimidazol-2-yl)methyl]ethanamine
CID 55064443
N-[(1-ethylimidazol-2-yl)methyl]-4-imidazol-1-ylbutan-1-amine
CID 62351544
N-[(1-ethylimidazol-2-yl)methyl]pent-3-yn-1-amine
CID 116642955
3-(3-ethoxypropylamino)-1-ethylpyrazin-2-one
CID 62940527
5-ethoxy-1-(1-ethylimidazol-2-yl)pentan-2-ol
CID 105112379
N-[[1-(3-ethoxypropyl)imidazol-2-yl]methyl]propan-2-amine
CID 65181164
4-[[(1-ethylimidazol-2-yl)methylamino]methyl]cyclohexan-1-ol
CID 106126176
N-[(1-ethylimidazol-2-yl)methyl]-2-(4-methylpiperazin-1-yl)ethanamine
CID 62351528

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[(1-ethylimidazol-2-yl)methyl]propan-1-amine?
The IUPAC name of 3-ethoxy-N-[(1-ethylimidazol-2-yl)methyl]propan-1-amine (CID 46784365) is 3-ethoxy-N-[(1-ethylimidazol-2-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-ethoxy-N-[(1-ethylimidazol-2-yl)methyl]propan-1-amine?
The canonical SMILES for 3-ethoxy-N-[(1-ethylimidazol-2-yl)methyl]propan-1-amine is CCOCCCNCc1nccn1CC.
What is the InChIKey of 3-ethoxy-N-[(1-ethylimidazol-2-yl)methyl]propan-1-amine?
The InChIKey is YOFXDAHYMMAFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-3-14-8-7-13-11(14)10-12-6-5-9-15-4-2/h7-8,12H,3-6,9-10H2,1-2H3.
What are the key properties of 3-ethoxy-N-[(1-ethylimidazol-2-yl)methyl]propan-1-amine?
3-ethoxy-N-[(1-ethylimidazol-2-yl)methyl]propan-1-amine has a molecular weight of 211.31 g/mol, XLogP of 1.42, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[(1-ethylimidazol-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 46784365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).