6-(dimethylamino)-1-(2-methyl-4,5-dihydroimidazol-1-yl)hexan-1-one

C12H23N3O — CID 70270103

IUPAC6-(dimethylamino)-1-(2-methyl-4,5-dihydroimidazol-1-yl)hexan-1-one
SMILESCC1=NCCN1C(=O)CCCCCN(C)C
InChIInChI=1S/C12H23N3O/c1-11-13-8-10-15(11)12(16)7-5-4-6-9-14(2)3/h4-10H2,1-3H3
InChIKeyHXKZZAIIFZGVBF-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.37
Rot. Bonds6

About 6-(dimethylamino)-1-(2-methyl-4,5-dihydroimidazol-1-yl)hexan-1-one

6-(dimethylamino)-1-(2-methyl-4,5-dihydroimidazol-1-yl)hexan-1-one (PubChem CID 70270103) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 6-(dimethylamino)-1-(2-methyl-4,5-dihydroimidazol-1-yl)hexan-1-one.

Molecular Properties

Compound Name6-(dimethylamino)-1-(2-methyl-4,5-dihydroimidazol-1-yl)hexan-1-one
PubChem CID70270103
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name6-(dimethylamino)-1-(2-methyl-4,5-dihydroimidazol-1-yl)hexan-1-one
SMILESCC1=NCCN1C(=O)CCCCCN(C)C
InChIInChI=1S/C12H23N3O/c1-11-13-8-10-15(11)12(16)7-5-4-6-9-14(2)3/h4-10H2,1-3H3
InChIKeyHXKZZAIIFZGVBF-UHFFFAOYSA-N
XLogP1.37
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-1-(2-methyl-4,5-dihydroimidazol-1-yl)hexan-1-one?
The IUPAC name of 6-(dimethylamino)-1-(2-methyl-4,5-dihydroimidazol-1-yl)hexan-1-one (CID 70270103) is 6-(dimethylamino)-1-(2-methyl-4,5-dihydroimidazol-1-yl)hexan-1-one.
What is the SMILES notation for 6-(dimethylamino)-1-(2-methyl-4,5-dihydroimidazol-1-yl)hexan-1-one?
The canonical SMILES for 6-(dimethylamino)-1-(2-methyl-4,5-dihydroimidazol-1-yl)hexan-1-one is CC1=NCCN1C(=O)CCCCCN(C)C.
What is the InChIKey of 6-(dimethylamino)-1-(2-methyl-4,5-dihydroimidazol-1-yl)hexan-1-one?
The InChIKey is HXKZZAIIFZGVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-11-13-8-10-15(11)12(16)7-5-4-6-9-14(2)3/h4-10H2,1-3H3.
What are the key properties of 6-(dimethylamino)-1-(2-methyl-4,5-dihydroimidazol-1-yl)hexan-1-one?
6-(dimethylamino)-1-(2-methyl-4,5-dihydroimidazol-1-yl)hexan-1-one has a molecular weight of 225.34 g/mol, XLogP of 1.37, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-1-(2-methyl-4,5-dihydroimidazol-1-yl)hexan-1-one is sourced from PubChem (CID 70270103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).