N-[[2-(1-ethoxyethyl)-1H-imidazol-5-yl]methyl]ethanamine

C10H19N3O — CID 64534838

IUPACN-[[2-(1-ethoxyethyl)-1H-imidazol-5-yl]methyl]ethanamine
SMILESCCNCc1cnc(C(C)OCC)[nH]1
InChIInChI=1S/C10H19N3O/c1-4-11-6-9-7-12-10(13-9)8(3)14-5-2/h7-8,11H,4-6H2,1-3H3,(H,12,13)
InChIKeyPZQHLEBLQKBPES-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.62
Rot. Bonds6

About N-[[2-(1-ethoxyethyl)-1H-imidazol-5-yl]methyl]ethanamine

N-[[2-(1-ethoxyethyl)-1H-imidazol-5-yl]methyl]ethanamine (PubChem CID 64534838) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is N-[[2-(1-ethoxyethyl)-1H-imidazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(1-ethoxyethyl)-1H-imidazol-5-yl]methyl]ethanamine
PubChem CID64534838
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC NameN-[[2-(1-ethoxyethyl)-1H-imidazol-5-yl]methyl]ethanamine
SMILESCCNCc1cnc(C(C)OCC)[nH]1
InChIInChI=1S/C10H19N3O/c1-4-11-6-9-7-12-10(13-9)8(3)14-5-2/h7-8,11H,4-6H2,1-3H3,(H,12,13)
InChIKeyPZQHLEBLQKBPES-UHFFFAOYSA-N
XLogP1.62
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-ethoxyethyl)-1H-imidazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(1-ethoxyethyl)-1H-imidazol-5-yl]methyl]ethanamine (CID 64534838) is N-[[2-(1-ethoxyethyl)-1H-imidazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(1-ethoxyethyl)-1H-imidazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(1-ethoxyethyl)-1H-imidazol-5-yl]methyl]ethanamine is CCNCc1cnc(C(C)OCC)[nH]1.
What is the InChIKey of N-[[2-(1-ethoxyethyl)-1H-imidazol-5-yl]methyl]ethanamine?
The InChIKey is PZQHLEBLQKBPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-4-11-6-9-7-12-10(13-9)8(3)14-5-2/h7-8,11H,4-6H2,1-3H3,(H,12,13).
What are the key properties of N-[[2-(1-ethoxyethyl)-1H-imidazol-5-yl]methyl]ethanamine?
N-[[2-(1-ethoxyethyl)-1H-imidazol-5-yl]methyl]ethanamine has a molecular weight of 197.28 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-ethoxyethyl)-1H-imidazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 64534838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).