2-ethoxy-2-(3-methylimidazol-4-yl)ethanamine

C8H15N3O — CID 66117996

IUPAC2-ethoxy-2-(3-methylimidazol-4-yl)ethanamine
SMILESCCOC(CN)c1cncn1C
InChIInChI=1S/C8H15N3O/c1-3-12-8(4-9)7-5-10-6-11(7)2/h5-6,8H,3-4,9H2,1-2H3
InChIKeyCIRPBIXEZBBJRJ-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.46
Rot. Bonds4

About 2-ethoxy-2-(3-methylimidazol-4-yl)ethanamine

2-ethoxy-2-(3-methylimidazol-4-yl)ethanamine (PubChem CID 66117996) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 2-ethoxy-2-(3-methylimidazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-ethoxy-2-(3-methylimidazol-4-yl)ethanamine
PubChem CID66117996
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name2-ethoxy-2-(3-methylimidazol-4-yl)ethanamine
SMILESCCOC(CN)c1cncn1C
InChIInChI=1S/C8H15N3O/c1-3-12-8(4-9)7-5-10-6-11(7)2/h5-6,8H,3-4,9H2,1-2H3
InChIKeyCIRPBIXEZBBJRJ-UHFFFAOYSA-N
XLogP0.46
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-1-(3-methylimidazol-4-yl)ethane-1,2-diamine
CID 66118363
N,N-bis(2-ethoxyethyl)-1-(3-methylimidazol-4-yl)ethane-1,2-diamine
CID 82965069
ethyl 3-hydroxy-3-(3-methylimidazol-4-yl)propanoate
CID 66118831
(1S)-1-(3-methylimidazol-4-yl)ethanamine
CID 82898137
2-[2-amino-1-(3-propan-2-ylimidazol-4-yl)ethoxy]ethanol
CID 103376876
N-(cyclopropylmethyl)-1-(3-methylimidazol-4-yl)ethane-1,2-diamine
CID 66118585
2-amino-1-(3-methylimidazol-4-yl)butan-1-ol
CID 66116586
N-(1-ethylpiperidin-4-yl)-N-methyl-1-(3-methylimidazol-4-yl)ethane-1,2-diamine
CID 66117307
N'-[2-amino-1-(3-methylimidazol-4-yl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102991893
[1-(3-methylimidazol-4-yl)-2-propan-2-yloxyethyl]hydrazine
CID 105264789
N-methyl-1-(3-methylimidazol-4-yl)propan-1-amine
CID 82903287
N-butan-2-yl-N-butyl-1-(3-methylimidazol-4-yl)ethane-1,2-diamine
CID 66116888

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-(3-methylimidazol-4-yl)ethanamine?
The IUPAC name of 2-ethoxy-2-(3-methylimidazol-4-yl)ethanamine (CID 66117996) is 2-ethoxy-2-(3-methylimidazol-4-yl)ethanamine.
What is the SMILES notation for 2-ethoxy-2-(3-methylimidazol-4-yl)ethanamine?
The canonical SMILES for 2-ethoxy-2-(3-methylimidazol-4-yl)ethanamine is CCOC(CN)c1cncn1C.
What is the InChIKey of 2-ethoxy-2-(3-methylimidazol-4-yl)ethanamine?
The InChIKey is CIRPBIXEZBBJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-3-12-8(4-9)7-5-10-6-11(7)2/h5-6,8H,3-4,9H2,1-2H3.
What are the key properties of 2-ethoxy-2-(3-methylimidazol-4-yl)ethanamine?
2-ethoxy-2-(3-methylimidazol-4-yl)ethanamine has a molecular weight of 169.23 g/mol, XLogP of 0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-(3-methylimidazol-4-yl)ethanamine is sourced from PubChem (CID 66117996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).