2-amino-2-(3-hexan-2-ylimidazol-4-yl)ethanol

C11H21N3O — CID 114705562

IUPAC2-amino-2-(3-hexan-2-ylimidazol-4-yl)ethanol
SMILESCCCCC(C)n1cncc1C(N)CO
InChIInChI=1S/C11H21N3O/c1-3-4-5-9(2)14-8-13-6-11(14)10(12)7-15/h6,8-10,15H,3-5,7,12H2,1-2H3
InChIKeyRREGPBNMNUVUBE-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.63
Rot. Bonds6

About 2-amino-2-(3-hexan-2-ylimidazol-4-yl)ethanol

2-amino-2-(3-hexan-2-ylimidazol-4-yl)ethanol (PubChem CID 114705562) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-amino-2-(3-hexan-2-ylimidazol-4-yl)ethanol.

Molecular Properties

Compound Name2-amino-2-(3-hexan-2-ylimidazol-4-yl)ethanol
PubChem CID114705562
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name2-amino-2-(3-hexan-2-ylimidazol-4-yl)ethanol
SMILESCCCCC(C)n1cncc1C(N)CO
InChIInChI=1S/C11H21N3O/c1-3-4-5-9(2)14-8-13-6-11(14)10(12)7-15/h6,8-10,15H,3-5,7,12H2,1-2H3
InChIKeyRREGPBNMNUVUBE-UHFFFAOYSA-N
XLogP1.63
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-(3-hexan-2-ylimidazol-4-yl)ethanamine
CID 104942866
2-methyl-1-(3-octan-2-ylimidazol-4-yl)propan-1-amine
CID 102969584
1-(3-octan-4-ylimidazol-4-yl)ethanamine
CID 106022203
2-amino-2-[3-(1-cyclopropylethyl)imidazol-4-yl]ethanol
CID 114704070
2-[5-(1-amino-2-hydroxyethyl)imidazol-1-yl]-N-ethyl-N-methylpropanamide
CID 103114266
1-[3-(4-ethylsulfanylbutan-2-yl)imidazol-4-yl]-3-methylbutan-1-amine
CID 114707825
2-amino-2-[3-[1-(4-bromophenyl)ethyl]imidazol-4-yl]ethanol
CID 114705010
(1R)-1-(3-hexan-3-ylimidazol-4-yl)propan-1-amine
CID 104942872
3-methyl-1-[3-(4-methylsulfanylbutan-2-yl)imidazol-4-yl]butan-1-amine
CID 114707577
2-amino-2-[3-(2-methylpropyl)imidazol-4-yl]ethanol
CID 83876289
(1R)-1-[3-(5-methylhexan-2-yl)imidazol-4-yl]-2-phenylethanamine
CID 104943198
N-[(3-hexan-2-ylimidazol-4-yl)methyl]propan-2-amine
CID 66149295

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3-hexan-2-ylimidazol-4-yl)ethanol?
The IUPAC name of 2-amino-2-(3-hexan-2-ylimidazol-4-yl)ethanol (CID 114705562) is 2-amino-2-(3-hexan-2-ylimidazol-4-yl)ethanol.
What is the SMILES notation for 2-amino-2-(3-hexan-2-ylimidazol-4-yl)ethanol?
The canonical SMILES for 2-amino-2-(3-hexan-2-ylimidazol-4-yl)ethanol is CCCCC(C)n1cncc1C(N)CO.
What is the InChIKey of 2-amino-2-(3-hexan-2-ylimidazol-4-yl)ethanol?
The InChIKey is RREGPBNMNUVUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-3-4-5-9(2)14-8-13-6-11(14)10(12)7-15/h6,8-10,15H,3-5,7,12H2,1-2H3.
What are the key properties of 2-amino-2-(3-hexan-2-ylimidazol-4-yl)ethanol?
2-amino-2-(3-hexan-2-ylimidazol-4-yl)ethanol has a molecular weight of 211.31 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(3-hexan-2-ylimidazol-4-yl)ethanol is sourced from PubChem (CID 114705562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).