2-[3-[2-(3-methylbutoxy)ethyl]imidazol-4-yl]ethanamine

C12H23N3O — CID 114719479

IUPAC2-[3-[2-(3-methylbutoxy)ethyl]imidazol-4-yl]ethanamine
SMILESCC(C)CCOCCn1cncc1CCN
InChIInChI=1S/C12H23N3O/c1-11(2)4-7-16-8-6-15-10-14-9-12(15)3-5-13/h9-11H,3-8,13H2,1-2H3
InChIKeyQSBKBCHAGZYAOI-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.45
Rot. Bonds8

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

2-[3-[2-(3-methylbutoxy)ethyl]imidazol-4-yl]ethanamine (PubChem CID 114719479) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-[3-[2-(3-methylbutoxy)ethyl]imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[3-[2-(3-methylbutoxy)ethyl]imidazol-4-yl]ethanamine
PubChem CID114719479
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name2-[3-[2-(3-methylbutoxy)ethyl]imidazol-4-yl]ethanamine
SMILESCC(C)CCOCCn1cncc1CCN
InChIInChI=1S/C12H23N3O/c1-11(2)4-7-16-8-6-15-10-14-9-12(15)3-5-13/h9-11H,3-8,13H2,1-2H3
InChIKeyQSBKBCHAGZYAOI-UHFFFAOYSA-N
XLogP1.45
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.45
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

2-[3-(2-methoxyethyl)imidazol-4-yl]ethanamine
CID 114717344
2-(3-methylbutoxy)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
CID 66130579
2-[3-(6-methylheptan-2-yl)imidazol-4-yl]ethanamine
CID 114719540
3-[2-(3-methylbutoxy)ethyl]pyrimidin-4-one
CID 116622737
1-(2-methoxyethyl)-5-(2-methylpropyl)imidazole
CID 139364682
2-[3-(2-ethylbutyl)imidazol-4-yl]ethanamine
CID 114722545
3-[3-(2-methylpropyl)imidazol-4-yl]propan-1-amine
CID 83875884
2-[3-(2-methyl-3-methylsulfanylpropyl)imidazol-4-yl]ethanamine
CID 114720425
ethyl 3-[5-(2-aminoethyl)imidazol-1-yl]propanoate
CID 114719017
2-[3-(3-methylsulfonylpropyl)imidazol-4-yl]ethanamine
CID 114718577
[3-(2-methoxyethyl)imidazol-4-yl]methanamine;dihydrochloride
CID 75530754
2-[3-(2-pyrrolidin-1-ylpropyl)imidazol-4-yl]ethanamine
CID 114721367

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(3-methylbutoxy)ethyl]imidazol-4-yl]ethanamine?
The IUPAC name of 2-[3-[2-(3-methylbutoxy)ethyl]imidazol-4-yl]ethanamine (CID 114719479) is 2-[3-[2-(3-methylbutoxy)ethyl]imidazol-4-yl]ethanamine.
What is the SMILES notation for 2-[3-[2-(3-methylbutoxy)ethyl]imidazol-4-yl]ethanamine?
The canonical SMILES for 2-[3-[2-(3-methylbutoxy)ethyl]imidazol-4-yl]ethanamine is CC(C)CCOCCn1cncc1CCN.
What is the InChIKey of 2-[3-[2-(3-methylbutoxy)ethyl]imidazol-4-yl]ethanamine?
The InChIKey is QSBKBCHAGZYAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-11(2)4-7-16-8-6-15-10-14-9-12(15)3-5-13/h9-11H,3-8,13H2,1-2H3.
What are the key properties of 2-[3-[2-(3-methylbutoxy)ethyl]imidazol-4-yl]ethanamine?
2-[3-[2-(3-methylbutoxy)ethyl]imidazol-4-yl]ethanamine has a molecular weight of 225.34 g/mol, XLogP of 1.45, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(3-methylbutoxy)ethyl]imidazol-4-yl]ethanamine is sourced from PubChem (CID 114719479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).