2-(diethylamino)acetaldehyde;N,2,6-trimethylaniline

C15H26N2O — CID 145241841

IUPAC2-(diethylamino)acetaldehyde;N,2,6-trimethylaniline
SMILESCCN(CC)CC=O.CNc1c(C)cccc1C
InChIInChI=1S/C9H13N.C6H13NO/c1-7-5-4-6-8(2)9(7)10-3;1-3-7(4-2)5-6-8/h4-6,10H,1-3H3;6H,3-5H2,1-2H3
InChIKeyBTNROYDRDGBSFY-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.87
Rot. Bonds5

About 2-(diethylamino)acetaldehyde;N,2,6-trimethylaniline

2-(diethylamino)acetaldehyde;N,2,6-trimethylaniline (PubChem CID 145241841) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-(diethylamino)acetaldehyde;N,2,6-trimethylaniline.

Molecular Properties

Compound Name2-(diethylamino)acetaldehyde;N,2,6-trimethylaniline
PubChem CID145241841
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2-(diethylamino)acetaldehyde;N,2,6-trimethylaniline
SMILESCCN(CC)CC=O.CNc1c(C)cccc1C
InChIInChI=1S/C9H13N.C6H13NO/c1-7-5-4-6-8(2)9(7)10-3;1-3-7(4-2)5-6-8/h4-6,10H,1-3H3;6H,3-5H2,1-2H3
InChIKeyBTNROYDRDGBSFY-UHFFFAOYSA-N
XLogP2.87
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;formic acid
CID 166652856
2-[2-aminoethyl-[(2,6-dichlorophenyl)methyl]amino]acetaldehyde;2-chloro-N,6-dimethylaniline
CID 142270450
ethane;N-[3-methyl-2-(methylamino)phenyl]formamide
CID 142602609
bis(2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide);dihydrochloride
CID 69335483
CID 89442401
CID 89442401
ethane;propanal;N,2,3-trimethylaniline
CID 154675662
N-[3-methyl-2-(methylamino)phenyl]formamide
CID 142602610
2-(carboxymethylamino)acetic acid;2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide
CID 6454431
N-(2,6-dimethylphenyl)-2-[ethyl(2-fluoroethyl)amino]acetamide
CID 135223290
N-(2,6-dimethylphenyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide
CID 78963573
N-(2-amino-6-methylphenyl)-2-[butyl(ethyl)amino]acetamide
CID 43375741
2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;2,2,2-trichloroethane-1,1-diol
CID 67896039

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)acetaldehyde;N,2,6-trimethylaniline?
The IUPAC name of 2-(diethylamino)acetaldehyde;N,2,6-trimethylaniline (CID 145241841) is 2-(diethylamino)acetaldehyde;N,2,6-trimethylaniline.
What is the SMILES notation for 2-(diethylamino)acetaldehyde;N,2,6-trimethylaniline?
The canonical SMILES for 2-(diethylamino)acetaldehyde;N,2,6-trimethylaniline is CCN(CC)CC=O.CNc1c(C)cccc1C.
What is the InChIKey of 2-(diethylamino)acetaldehyde;N,2,6-trimethylaniline?
The InChIKey is BTNROYDRDGBSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N.C6H13NO/c1-7-5-4-6-8(2)9(7)10-3;1-3-7(4-2)5-6-8/h4-6,10H,1-3H3;6H,3-5H2,1-2H3.
What are the key properties of 2-(diethylamino)acetaldehyde;N,2,6-trimethylaniline?
2-(diethylamino)acetaldehyde;N,2,6-trimethylaniline has a molecular weight of 250.39 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)acetaldehyde;N,2,6-trimethylaniline is sourced from PubChem (CID 145241841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).