3-(aminomethyl)-6-(4,5-dimethylimidazol-1-yl)hexan-3-ol

C12H23N3O — CID 106811441

IUPAC3-(aminomethyl)-6-(4,5-dimethylimidazol-1-yl)hexan-3-ol
SMILESCCC(O)(CN)CCCn1cnc(C)c1C
InChIInChI=1S/C12H23N3O/c1-4-12(16,8-13)6-5-7-15-9-14-10(2)11(15)3/h9,16H,4-8,13H2,1-3H3
InChIKeyDZXOQVBRLKHKED-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.38
Rot. Bonds6

About 3-(aminomethyl)-6-(4,5-dimethylimidazol-1-yl)hexan-3-ol

3-(aminomethyl)-6-(4,5-dimethylimidazol-1-yl)hexan-3-ol (PubChem CID 106811441) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 3-(aminomethyl)-6-(4,5-dimethylimidazol-1-yl)hexan-3-ol.

Molecular Properties

Compound Name3-(aminomethyl)-6-(4,5-dimethylimidazol-1-yl)hexan-3-ol
PubChem CID106811441
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name3-(aminomethyl)-6-(4,5-dimethylimidazol-1-yl)hexan-3-ol
SMILESCCC(O)(CN)CCCn1cnc(C)c1C
InChIInChI=1S/C12H23N3O/c1-4-12(16,8-13)6-5-7-15-9-14-10(2)11(15)3/h9,16H,4-8,13H2,1-3H3
InChIKeyDZXOQVBRLKHKED-UHFFFAOYSA-N
XLogP1.38
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-6-(4,5-dimethylimidazol-1-yl)hexan-3-ol?
The IUPAC name of 3-(aminomethyl)-6-(4,5-dimethylimidazol-1-yl)hexan-3-ol (CID 106811441) is 3-(aminomethyl)-6-(4,5-dimethylimidazol-1-yl)hexan-3-ol.
What is the SMILES notation for 3-(aminomethyl)-6-(4,5-dimethylimidazol-1-yl)hexan-3-ol?
The canonical SMILES for 3-(aminomethyl)-6-(4,5-dimethylimidazol-1-yl)hexan-3-ol is CCC(O)(CN)CCCn1cnc(C)c1C.
What is the InChIKey of 3-(aminomethyl)-6-(4,5-dimethylimidazol-1-yl)hexan-3-ol?
The InChIKey is DZXOQVBRLKHKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-4-12(16,8-13)6-5-7-15-9-14-10(2)11(15)3/h9,16H,4-8,13H2,1-3H3.
What are the key properties of 3-(aminomethyl)-6-(4,5-dimethylimidazol-1-yl)hexan-3-ol?
3-(aminomethyl)-6-(4,5-dimethylimidazol-1-yl)hexan-3-ol has a molecular weight of 225.34 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-6-(4,5-dimethylimidazol-1-yl)hexan-3-ol is sourced from PubChem (CID 106811441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).