2-[3-(1-methoxypentan-2-yl)imidazol-4-yl]ethanamine

C11H21N3O — CID 114720833

IUPAC2-[3-(1-methoxypentan-2-yl)imidazol-4-yl]ethanamine
SMILESCCCC(COC)n1cncc1CCN
InChIInChI=1S/C11H21N3O/c1-3-4-11(8-15-2)14-9-13-7-10(14)5-6-12/h7,9,11H,3-6,8,12H2,1-2H3
InChIKeyKGKZUMFKNMMTMG-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.37
Rot. Bonds7

About 2-[3-(1-methoxypentan-2-yl)imidazol-4-yl]ethanamine

2-[3-(1-methoxypentan-2-yl)imidazol-4-yl]ethanamine (PubChem CID 114720833) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-[3-(1-methoxypentan-2-yl)imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(1-methoxypentan-2-yl)imidazol-4-yl]ethanamine
PubChem CID114720833
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name2-[3-(1-methoxypentan-2-yl)imidazol-4-yl]ethanamine
SMILESCCCC(COC)n1cncc1CCN
InChIInChI=1S/C11H21N3O/c1-3-4-11(8-15-2)14-9-13-7-10(14)5-6-12/h7,9,11H,3-6,8,12H2,1-2H3
InChIKeyKGKZUMFKNMMTMG-UHFFFAOYSA-N
XLogP1.37
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(6-methylheptan-2-yl)imidazol-4-yl]ethanamine
CID 114719540
2-[3-(2-methoxyethyl)imidazol-4-yl]ethanamine
CID 114717344
1-methoxy-N-[(3-propan-2-ylimidazol-4-yl)methyl]pentan-2-amine
CID 66162188
2-[3-[1-(1H-pyrazol-4-yl)ethyl]imidazol-4-yl]ethanamine
CID 106211999
(1R)-1-(3-hexan-3-ylimidazol-4-yl)propan-1-amine
CID 104942872
1-propan-2-yl-5-propylimidazole
CID 139308338
2-[3-[2-(3-methylbutoxy)ethyl]imidazol-4-yl]ethanamine
CID 114719479
2-[3-(2-ethylbutyl)imidazol-4-yl]ethanamine
CID 114722545
2-(3-hexan-3-ylimidazol-4-yl)propan-2-amine
CID 114705574
2-methoxy-N-[[3-(2-methylpentan-3-yl)imidazol-4-yl]methyl]ethanamine
CID 66146120
1-(3-octan-4-ylimidazol-4-yl)ethanamine
CID 106022203
N-[(3-pentan-2-ylimidazol-4-yl)methyl]propan-1-amine
CID 66147531

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-methoxypentan-2-yl)imidazol-4-yl]ethanamine?
The IUPAC name of 2-[3-(1-methoxypentan-2-yl)imidazol-4-yl]ethanamine (CID 114720833) is 2-[3-(1-methoxypentan-2-yl)imidazol-4-yl]ethanamine.
What is the SMILES notation for 2-[3-(1-methoxypentan-2-yl)imidazol-4-yl]ethanamine?
The canonical SMILES for 2-[3-(1-methoxypentan-2-yl)imidazol-4-yl]ethanamine is CCCC(COC)n1cncc1CCN.
What is the InChIKey of 2-[3-(1-methoxypentan-2-yl)imidazol-4-yl]ethanamine?
The InChIKey is KGKZUMFKNMMTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-3-4-11(8-15-2)14-9-13-7-10(14)5-6-12/h7,9,11H,3-6,8,12H2,1-2H3.
What are the key properties of 2-[3-(1-methoxypentan-2-yl)imidazol-4-yl]ethanamine?
2-[3-(1-methoxypentan-2-yl)imidazol-4-yl]ethanamine has a molecular weight of 211.31 g/mol, XLogP of 1.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-methoxypentan-2-yl)imidazol-4-yl]ethanamine is sourced from PubChem (CID 114720833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).