acetaldehyde;N,N-dimethylaniline

C10H15NO — CID 158535205

IUPACacetaldehyde;N,N-dimethylaniline
SMILESCC=O.CN(C)c1ccccc1
InChIInChI=1S/C8H11N.C2H4O/c1-9(2)8-6-4-3-5-7-8;1-2-3/h3-7H,1-2H3;2H,1H3
InChIKeyHNVZLBPAMBTCPE-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.96
Rot. Bonds1

About acetaldehyde;N,N-dimethylaniline

acetaldehyde;N,N-dimethylaniline (PubChem CID 158535205) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is acetaldehyde;N,N-dimethylaniline.

Molecular Properties

Compound Nameacetaldehyde;N,N-dimethylaniline
PubChem CID158535205
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Nameacetaldehyde;N,N-dimethylaniline
SMILESCC=O.CN(C)c1ccccc1
InChIInChI=1S/C8H11N.C2H4O/c1-9(2)8-6-4-3-5-7-8;1-2-3/h3-7H,1-2H3;2H,1H3
InChIKeyHNVZLBPAMBTCPE-UHFFFAOYSA-N
XLogP1.96
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethylaniline
CID 70392672
CID 69241188
CID 69241188
N,N-dimethylaniline;hydrofluoride
CID 160775229
N,N-dimethylaniline;mercury
CID 158660084
N,N-dimethylaniline;hydron
CID 174471199
N,N-dimethylaniline;nickel
CID 158294400
N,N-dimethylaniline;osmium(4+)
CID 172845967
N,N-dimethylaniline;methanol
CID 143205399
carbon monoxide;N,N-dimethylaniline;tungsten
CID 134981716
N,N-dimethylaniline;N,N-diphenylaniline
CID 159990775
azanylidyneazanium;N,N-dimethylaniline;chloride
CID 23457952
4-(dimethylamino)benzaldehyde;4-phenylbenzaldehyde
CID 19981020

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;N,N-dimethylaniline?
The IUPAC name of acetaldehyde;N,N-dimethylaniline (CID 158535205) is acetaldehyde;N,N-dimethylaniline.
What is the SMILES notation for acetaldehyde;N,N-dimethylaniline?
The canonical SMILES for acetaldehyde;N,N-dimethylaniline is CC=O.CN(C)c1ccccc1.
What is the InChIKey of acetaldehyde;N,N-dimethylaniline?
The InChIKey is HNVZLBPAMBTCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N.C2H4O/c1-9(2)8-6-4-3-5-7-8;1-2-3/h3-7H,1-2H3;2H,1H3.
What are the key properties of acetaldehyde;N,N-dimethylaniline?
acetaldehyde;N,N-dimethylaniline has a molecular weight of 165.24 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;N,N-dimethylaniline is sourced from PubChem (CID 158535205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).