N-[[1-(3-ethoxypropyl)imidazol-2-yl]methyl]-2-methoxyethanamine

C12H23N3O2 — CID 66402286

IUPACN-[[1-(3-ethoxypropyl)imidazol-2-yl]methyl]-2-methoxyethanamine
SMILESCCOCCCn1ccnc1CNCCOC
InChIInChI=1S/C12H23N3O2/c1-3-17-9-4-7-15-8-5-14-12(15)11-13-6-10-16-2/h5,8,13H,3-4,6-7,9-11H2,1-2H3
InChIKeyUEOXWKWOBFQAJE-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.05
Rot. Bonds10

About N-[[1-(3-ethoxypropyl)imidazol-2-yl]methyl]-2-methoxyethanamine

N-[[1-(3-ethoxypropyl)imidazol-2-yl]methyl]-2-methoxyethanamine (PubChem CID 66402286) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is N-[[1-(3-ethoxypropyl)imidazol-2-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[1-(3-ethoxypropyl)imidazol-2-yl]methyl]-2-methoxyethanamine
PubChem CID66402286
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC NameN-[[1-(3-ethoxypropyl)imidazol-2-yl]methyl]-2-methoxyethanamine
SMILESCCOCCCn1ccnc1CNCCOC
InChIInChI=1S/C12H23N3O2/c1-3-17-9-4-7-15-8-5-14-12(15)11-13-6-10-16-2/h5,8,13H,3-4,6-7,9-11H2,1-2H3
InChIKeyUEOXWKWOBFQAJE-UHFFFAOYSA-N
XLogP1.05
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.05
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

2-methoxy-N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-2-yl]methyl]ethanamine
CID 66402094
3-ethoxy-N-[(1-ethylimidazol-2-yl)methyl]propan-1-amine
CID 46784365
N-[[1-(3-ethoxypropyl)imidazol-2-yl]methyl]propan-2-amine
CID 65181164
3-(2-ethylimidazol-1-yl)-N-(2-methoxyethyl)propan-1-amine
CID 62566094
3-propoxy-N-[(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 82941127
2-methoxy-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]ethanamine
CID 66403057
2-methoxy-N-[[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazol-2-yl]methyl]ethanamine
CID 66401488
2-methoxy-N-[[1-[(1-methyltriazol-4-yl)methyl]imidazol-2-yl]methyl]ethanamine
CID 107045520
methyl 2-[2-[(2-methoxyethylamino)methyl]imidazol-1-yl]acetate
CID 66402854
N-(2-methoxyethyl)-3-(1-propylimidazol-2-yl)propan-1-amine
CID 64502833
N-[[1-[(3,4-dimethylphenyl)methyl]imidazol-2-yl]methyl]-2-methoxyethanamine
CID 66402671
N-[(1-decylimidazol-2-yl)methyl]propan-1-amine
CID 63409141

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-ethoxypropyl)imidazol-2-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[1-(3-ethoxypropyl)imidazol-2-yl]methyl]-2-methoxyethanamine (CID 66402286) is N-[[1-(3-ethoxypropyl)imidazol-2-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[1-(3-ethoxypropyl)imidazol-2-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[1-(3-ethoxypropyl)imidazol-2-yl]methyl]-2-methoxyethanamine is CCOCCCn1ccnc1CNCCOC.
What is the InChIKey of N-[[1-(3-ethoxypropyl)imidazol-2-yl]methyl]-2-methoxyethanamine?
The InChIKey is UEOXWKWOBFQAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-3-17-9-4-7-15-8-5-14-12(15)11-13-6-10-16-2/h5,8,13H,3-4,6-7,9-11H2,1-2H3.
What are the key properties of N-[[1-(3-ethoxypropyl)imidazol-2-yl]methyl]-2-methoxyethanamine?
N-[[1-(3-ethoxypropyl)imidazol-2-yl]methyl]-2-methoxyethanamine has a molecular weight of 241.33 g/mol, XLogP of 1.05, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-ethoxypropyl)imidazol-2-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 66402286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).