2-[3-(2-ethylbutyl)imidazol-4-yl]ethanamine

C11H21N3 — CID 114722545

IUPAC2-[3-(2-ethylbutyl)imidazol-4-yl]ethanamine
SMILESCCC(CC)Cn1cncc1CCN
InChIInChI=1S/C11H21N3/c1-3-10(4-2)8-14-9-13-7-11(14)5-6-12/h7,9-10H,3-6,8,12H2,1-2H3
InChIKeyOUMWKZLQCMNXAT-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.82
Rot. Bonds6

About 2-[3-(2-ethylbutyl)imidazol-4-yl]ethanamine

2-[3-(2-ethylbutyl)imidazol-4-yl]ethanamine (PubChem CID 114722545) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-[3-(2-ethylbutyl)imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(2-ethylbutyl)imidazol-4-yl]ethanamine
PubChem CID114722545
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name2-[3-(2-ethylbutyl)imidazol-4-yl]ethanamine
SMILESCCC(CC)Cn1cncc1CCN
InChIInChI=1S/C11H21N3/c1-3-10(4-2)8-14-9-13-7-11(14)5-6-12/h7,9-10H,3-6,8,12H2,1-2H3
InChIKeyOUMWKZLQCMNXAT-UHFFFAOYSA-N
XLogP1.82
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(2-methyl-3-methylsulfanylpropyl)imidazol-4-yl]ethanamine
CID 114720425
[3-(2-ethylhexyl)imidazol-4-yl]methanamine
CID 107818806
2-[3-(2-pyrrolidin-1-ylpropyl)imidazol-4-yl]ethanamine
CID 114721367
3-[3-(2-methylpropyl)imidazol-4-yl]propan-1-amine
CID 83875884
2-[3-(2-methoxyethyl)imidazol-4-yl]ethanamine
CID 114717344
2-(3-prop-2-enylimidazol-4-yl)ethanamine
CID 114717587
1-[3-(2-ethylbutyl)imidazol-4-yl]-2-methylpropan-1-amine
CID 102969891
2-[3-[2-(3-methylbutoxy)ethyl]imidazol-4-yl]ethanamine
CID 114719479
ethyl 3-[5-(2-aminoethyl)imidazol-1-yl]propanoate
CID 114719017
2-[5-(2-aminoethyl)imidazol-1-yl]-N-methylacetamide
CID 114715967
2-(3-benzylimidazol-4-yl)ethanamine
CID 19417806
2-[3-[(5-ethyl-1,3-oxazol-2-yl)methyl]imidazol-4-yl]ethanamine
CID 106377472

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-ethylbutyl)imidazol-4-yl]ethanamine?
The IUPAC name of 2-[3-(2-ethylbutyl)imidazol-4-yl]ethanamine (CID 114722545) is 2-[3-(2-ethylbutyl)imidazol-4-yl]ethanamine.
What is the SMILES notation for 2-[3-(2-ethylbutyl)imidazol-4-yl]ethanamine?
The canonical SMILES for 2-[3-(2-ethylbutyl)imidazol-4-yl]ethanamine is CCC(CC)Cn1cncc1CCN.
What is the InChIKey of 2-[3-(2-ethylbutyl)imidazol-4-yl]ethanamine?
The InChIKey is OUMWKZLQCMNXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-3-10(4-2)8-14-9-13-7-11(14)5-6-12/h7,9-10H,3-6,8,12H2,1-2H3.
What are the key properties of 2-[3-(2-ethylbutyl)imidazol-4-yl]ethanamine?
2-[3-(2-ethylbutyl)imidazol-4-yl]ethanamine has a molecular weight of 195.31 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-ethylbutyl)imidazol-4-yl]ethanamine is sourced from PubChem (CID 114722545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).