2-[2-(dimethylamino)-3-methyl-2H-imidazol-1-yl]acetaldehyde

C8H15N3O — CID 23026369

IUPAC2-[2-(dimethylamino)-3-methyl-2H-imidazol-1-yl]acetaldehyde
SMILESCN(C)C1N(C)C=CN1CC=O
InChIInChI=1S/C8H15N3O/c1-9(2)8-10(3)4-5-11(8)6-7-12/h4-5,7-8H,6H2,1-3H3
InChIKeyDOZWVZYATPMVEM-UHFFFAOYSA-N
MW169.23 g/mol
LogP-0.25
Rot. Bonds3

About 2-[2-(dimethylamino)-3-methyl-2H-imidazol-1-yl]acetaldehyde

2-[2-(dimethylamino)-3-methyl-2H-imidazol-1-yl]acetaldehyde (PubChem CID 23026369) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 2-[2-(dimethylamino)-3-methyl-2H-imidazol-1-yl]acetaldehyde.

Molecular Properties

Compound Name2-[2-(dimethylamino)-3-methyl-2H-imidazol-1-yl]acetaldehyde
PubChem CID23026369
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name2-[2-(dimethylamino)-3-methyl-2H-imidazol-1-yl]acetaldehyde
SMILESCN(C)C1N(C)C=CN1CC=O
InChIInChI=1S/C8H15N3O/c1-9(2)8-10(3)4-5-11(8)6-7-12/h4-5,7-8H,6H2,1-3H3
InChIKeyDOZWVZYATPMVEM-UHFFFAOYSA-N
XLogP-0.25
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 5-0.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)-3-methyl-2H-imidazol-1-yl]acetaldehyde?
The IUPAC name of 2-[2-(dimethylamino)-3-methyl-2H-imidazol-1-yl]acetaldehyde (CID 23026369) is 2-[2-(dimethylamino)-3-methyl-2H-imidazol-1-yl]acetaldehyde.
What is the SMILES notation for 2-[2-(dimethylamino)-3-methyl-2H-imidazol-1-yl]acetaldehyde?
The canonical SMILES for 2-[2-(dimethylamino)-3-methyl-2H-imidazol-1-yl]acetaldehyde is CN(C)C1N(C)C=CN1CC=O.
What is the InChIKey of 2-[2-(dimethylamino)-3-methyl-2H-imidazol-1-yl]acetaldehyde?
The InChIKey is DOZWVZYATPMVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-9(2)8-10(3)4-5-11(8)6-7-12/h4-5,7-8H,6H2,1-3H3.
What are the key properties of 2-[2-(dimethylamino)-3-methyl-2H-imidazol-1-yl]acetaldehyde?
2-[2-(dimethylamino)-3-methyl-2H-imidazol-1-yl]acetaldehyde has a molecular weight of 169.23 g/mol, XLogP of -0.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)-3-methyl-2H-imidazol-1-yl]acetaldehyde is sourced from PubChem (CID 23026369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).