N-ethyl-2-[(3-ethylimidazol-4-yl)methoxy]ethanamine

C10H19N3O — CID 106937890

IUPACN-ethyl-2-[(3-ethylimidazol-4-yl)methoxy]ethanamine
SMILESCCNCCOCc1cncn1CC
InChIInChI=1S/C10H19N3O/c1-3-11-5-6-14-8-10-7-12-9-13(10)4-2/h7,9,11H,3-6,8H2,1-2H3
InChIKeyRVBNQQUQXLRDRF-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.03
Rot. Bonds7

About N-ethyl-2-[(3-ethylimidazol-4-yl)methoxy]ethanamine

N-ethyl-2-[(3-ethylimidazol-4-yl)methoxy]ethanamine (PubChem CID 106937890) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is N-ethyl-2-[(3-ethylimidazol-4-yl)methoxy]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-[(3-ethylimidazol-4-yl)methoxy]ethanamine
PubChem CID106937890
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC NameN-ethyl-2-[(3-ethylimidazol-4-yl)methoxy]ethanamine
SMILESCCNCCOCc1cncn1CC
InChIInChI=1S/C10H19N3O/c1-3-11-5-6-14-8-10-7-12-9-13(10)4-2/h7,9,11H,3-6,8H2,1-2H3
InChIKeyRVBNQQUQXLRDRF-UHFFFAOYSA-N
XLogP1.03
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.03
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

1-(3-ethylimidazol-4-yl)-N,N-dimethylmethanamine
CID 117192905
N-[[4-[(3-ethylimidazol-4-yl)methoxy]phenyl]methyl]propan-1-amine
CID 66153745
N-[[1-[(3-ethylimidazol-4-yl)methyl]imidazol-2-yl]methyl]ethanamine
CID 66153964
3-[(3-propylimidazol-4-yl)methoxy]propan-1-amine
CID 106938080
N-[(3-ethylimidazol-4-yl)methyl]pentan-1-amine
CID 66118440
N-[2-(3-ethylimidazol-4-yl)ethyl]formamide
CID 142002856
2-(3-methylbutoxy)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
CID 66130579
N-[(3-ethylimidazol-4-yl)methyl]-4,4,4-trifluorobutan-1-amine
CID 115516463
N-[2-[(1-ethylimidazol-2-yl)methoxy]ethyl]propan-1-amine
CID 106937929
N-[[5-[(3-ethylimidazol-4-yl)methoxy]-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 79788513
N-[(3-ethylimidazol-4-yl)methyl]propan-2-amine
CID 66118230
N-[(3-ethylimidazol-4-yl)methyl]-1-methoxybutan-2-amine
CID 66132621

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(3-ethylimidazol-4-yl)methoxy]ethanamine?
The IUPAC name of N-ethyl-2-[(3-ethylimidazol-4-yl)methoxy]ethanamine (CID 106937890) is N-ethyl-2-[(3-ethylimidazol-4-yl)methoxy]ethanamine.
What is the SMILES notation for N-ethyl-2-[(3-ethylimidazol-4-yl)methoxy]ethanamine?
The canonical SMILES for N-ethyl-2-[(3-ethylimidazol-4-yl)methoxy]ethanamine is CCNCCOCc1cncn1CC.
What is the InChIKey of N-ethyl-2-[(3-ethylimidazol-4-yl)methoxy]ethanamine?
The InChIKey is RVBNQQUQXLRDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-3-11-5-6-14-8-10-7-12-9-13(10)4-2/h7,9,11H,3-6,8H2,1-2H3.
What are the key properties of N-ethyl-2-[(3-ethylimidazol-4-yl)methoxy]ethanamine?
N-ethyl-2-[(3-ethylimidazol-4-yl)methoxy]ethanamine has a molecular weight of 197.28 g/mol, XLogP of 1.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(3-ethylimidazol-4-yl)methoxy]ethanamine is sourced from PubChem (CID 106937890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).