acetaldehyde;N,2-dimethylaniline;ethane

C14H27NO — CID 143317223

IUPACacetaldehyde;N,2-dimethylaniline;ethane
SMILESCC.CC.CC=O.CNc1ccccc1C
InChIInChI=1S/C8H11N.C2H4O.2C2H6/c1-7-5-3-4-6-8(7)9-2;1-2-3;2*1-2/h3-6,9H,1-2H3;2H,1H3;2*1-2H3
InChIKeyZSZUOJSDTPXZRS-UHFFFAOYSA-N
MW225.38 g/mol
LogP4.29
Rot. Bonds1

About acetaldehyde;N,2-dimethylaniline;ethane

acetaldehyde;N,2-dimethylaniline;ethane (PubChem CID 143317223) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is acetaldehyde;N,2-dimethylaniline;ethane.

Molecular Properties

Compound Nameacetaldehyde;N,2-dimethylaniline;ethane
PubChem CID143317223
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Nameacetaldehyde;N,2-dimethylaniline;ethane
SMILESCC.CC.CC=O.CNc1ccccc1C
InChIInChI=1S/C8H11N.C2H4O.2C2H6/c1-7-5-3-4-6-8(7)9-2;1-2-3;2*1-2/h3-6,9H,1-2H3;2H,1H3;2*1-2H3
InChIKeyZSZUOJSDTPXZRS-UHFFFAOYSA-N
XLogP4.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,2-dimethylaniline
CID 163768915
acetaldehyde;2-hydrazinyl-N-methylaniline
CID 143398007
acetaldehyde;ethane;2-methylaniline
CID 144857558
ethane;propanal;N,2,3-trimethylaniline
CID 154675662
ethane;N-[3-methyl-2-(methylamino)phenyl]formamide
CID 142602609
acetylene;ethane;2-(methylamino)benzaldehyde;1,4-xylene
CID 143924722
ethane;N-ethenyl-2-methylaniline
CID 142183828
N-[3-methyl-2-(methylamino)phenyl]formamide
CID 142602610
2-fluoro-N,3-dimethylaniline
CID 50998713
N-but-2-en-2-yl-2-methylaniline
CID 74062995
2-[4-(methylamino)phenyl]acetaldehyde;N-(2-methylphenyl)formamide
CID 143818637
ethane;N-(2-methylphenyl)methanesulfonamide;molecular hydrogen
CID 143063933

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;N,2-dimethylaniline;ethane?
The IUPAC name of acetaldehyde;N,2-dimethylaniline;ethane (CID 143317223) is acetaldehyde;N,2-dimethylaniline;ethane.
What is the SMILES notation for acetaldehyde;N,2-dimethylaniline;ethane?
The canonical SMILES for acetaldehyde;N,2-dimethylaniline;ethane is CC.CC.CC=O.CNc1ccccc1C.
What is the InChIKey of acetaldehyde;N,2-dimethylaniline;ethane?
The InChIKey is ZSZUOJSDTPXZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N.C2H4O.2C2H6/c1-7-5-3-4-6-8(7)9-2;1-2-3;2*1-2/h3-6,9H,1-2H3;2H,1H3;2*1-2H3.
What are the key properties of acetaldehyde;N,2-dimethylaniline;ethane?
acetaldehyde;N,2-dimethylaniline;ethane has a molecular weight of 225.38 g/mol, XLogP of 4.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;N,2-dimethylaniline;ethane is sourced from PubChem (CID 143317223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).