3-amino-2-(4,5-dimethylimidazol-1-yl)hexan-1-ol

C11H21N3O — CID 114357743

IUPAC3-amino-2-(4,5-dimethylimidazol-1-yl)hexan-1-ol
SMILESCCCC(N)C(CO)n1cnc(C)c1C
InChIInChI=1S/C11H21N3O/c1-4-5-10(12)11(6-15)14-7-13-8(2)9(14)3/h7,10-11,15H,4-6,12H2,1-3H3
InChIKeyASPUQGFEGCERMP-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.16
Rot. Bonds5

About 3-amino-2-(4,5-dimethylimidazol-1-yl)hexan-1-ol

3-amino-2-(4,5-dimethylimidazol-1-yl)hexan-1-ol (PubChem CID 114357743) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 3-amino-2-(4,5-dimethylimidazol-1-yl)hexan-1-ol.

Molecular Properties

Compound Name3-amino-2-(4,5-dimethylimidazol-1-yl)hexan-1-ol
PubChem CID114357743
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name3-amino-2-(4,5-dimethylimidazol-1-yl)hexan-1-ol
SMILESCCCC(N)C(CO)n1cnc(C)c1C
InChIInChI=1S/C11H21N3O/c1-4-5-10(12)11(6-15)14-7-13-8(2)9(14)3/h7,10-11,15H,4-6,12H2,1-3H3
InChIKeyASPUQGFEGCERMP-UHFFFAOYSA-N
XLogP1.16
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-2-(3,4,5-trimethylpyrazol-1-yl)hexan-1-ol
CID 114357711
3-(4,5-dimethylimidazol-1-yl)heptan-4-ol
CID 62351287
3-amino-2-(2-propylimidazol-1-yl)hexan-1-ol
CID 114357761
3-(benzimidazol-1-yl)heptan-4-amine
CID 43184507
2-(4,5-dimethylimidazol-1-yl)-N-ethyl-3-methylbutan-1-amine
CID 62441020
3-amino-2-(4-methylpiperazin-1-yl)hexan-1-ol
CID 114356433
2-(4,5-dimethylimidazol-1-yl)-N'-hydroxypropanimidamide
CID 62352168
methyl 2-(4,5-dimethylimidazol-1-yl)propanoate
CID 62350544
(2S)-2-(4,5-dimethylimidazol-1-yl)propanoic acid
CID 82413382
1-(3-bromophenyl)-1-(4,5-dimethylimidazol-1-yl)butan-2-amine
CID 62351583
3-amino-2-(3-methylpyrazol-1-yl)pentan-1-ol
CID 104840534
3-amino-2-(4-propan-2-ylpiperidin-1-yl)hexan-1-ol
CID 103495144

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(4,5-dimethylimidazol-1-yl)hexan-1-ol?
The IUPAC name of 3-amino-2-(4,5-dimethylimidazol-1-yl)hexan-1-ol (CID 114357743) is 3-amino-2-(4,5-dimethylimidazol-1-yl)hexan-1-ol.
What is the SMILES notation for 3-amino-2-(4,5-dimethylimidazol-1-yl)hexan-1-ol?
The canonical SMILES for 3-amino-2-(4,5-dimethylimidazol-1-yl)hexan-1-ol is CCCC(N)C(CO)n1cnc(C)c1C.
What is the InChIKey of 3-amino-2-(4,5-dimethylimidazol-1-yl)hexan-1-ol?
The InChIKey is ASPUQGFEGCERMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-4-5-10(12)11(6-15)14-7-13-8(2)9(14)3/h7,10-11,15H,4-6,12H2,1-3H3.
What are the key properties of 3-amino-2-(4,5-dimethylimidazol-1-yl)hexan-1-ol?
3-amino-2-(4,5-dimethylimidazol-1-yl)hexan-1-ol has a molecular weight of 211.31 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(4,5-dimethylimidazol-1-yl)hexan-1-ol is sourced from PubChem (CID 114357743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).