ethane;propanal;N,2,3-trimethylaniline

C14H25NO — CID 154675662

IUPACethane;propanal;N,2,3-trimethylaniline
SMILESCC.CCC=O.CNc1cccc(C)c1C
InChIInChI=1S/C9H13N.C3H6O.C2H6/c1-7-5-4-6-9(10-3)8(7)2;1-2-3-4;1-2/h4-6,10H,1-3H3;3H,2H2,1H3;1-2H3
InChIKeyMVXVMHWGHGQJDB-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.97
Rot. Bonds2

About ethane;propanal;N,2,3-trimethylaniline

ethane;propanal;N,2,3-trimethylaniline (PubChem CID 154675662) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is ethane;propanal;N,2,3-trimethylaniline.

Molecular Properties

Compound Nameethane;propanal;N,2,3-trimethylaniline
PubChem CID154675662
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Nameethane;propanal;N,2,3-trimethylaniline
SMILESCC.CCC=O.CNc1cccc(C)c1C
InChIInChI=1S/C9H13N.C3H6O.C2H6/c1-7-5-4-6-9(10-3)8(7)2;1-2-3-4;1-2/h4-6,10H,1-3H3;3H,2H2,1H3;1-2H3
InChIKeyMVXVMHWGHGQJDB-UHFFFAOYSA-N
XLogP3.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.97
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

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CID 143317223
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2-(diethylamino)acetaldehyde;N,2,6-trimethylaniline
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ethane;N-[3-methyl-2-(methylamino)phenyl]formamide
CID 142602609
2-(2,3-dimethylanilino)benzaldehyde
CID 15027376
N,2-dimethylaniline
CID 163768915
3-[4-cyclobutyl-5-(2-oxoethyl)-1,2,4-triazol-3-yl]propanal;N,N-dimethylmethanamine;N,2,3-trimethylaniline
CID 144615535
N-benzyl-2,3-dimethylaniline;formic acid
CID 175448541
ethane;5-ethyl-N-methyl-2-[(2-methylphenoxy)methyl]aniline;propanal
CID 144933057
2-fluoro-N,3-dimethylaniline
CID 50998713
N-(2,3-dimethylphenyl)-N',N'-diethylethane-1,2-diamine
CID 28585667

Frequently Asked Questions

What is the IUPAC name of ethane;propanal;N,2,3-trimethylaniline?
The IUPAC name of ethane;propanal;N,2,3-trimethylaniline (CID 154675662) is ethane;propanal;N,2,3-trimethylaniline.
What is the SMILES notation for ethane;propanal;N,2,3-trimethylaniline?
The canonical SMILES for ethane;propanal;N,2,3-trimethylaniline is CC.CCC=O.CNc1cccc(C)c1C.
What is the InChIKey of ethane;propanal;N,2,3-trimethylaniline?
The InChIKey is MVXVMHWGHGQJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N.C3H6O.C2H6/c1-7-5-4-6-9(10-3)8(7)2;1-2-3-4;1-2/h4-6,10H,1-3H3;3H,2H2,1H3;1-2H3.
What are the key properties of ethane;propanal;N,2,3-trimethylaniline?
ethane;propanal;N,2,3-trimethylaniline has a molecular weight of 223.36 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;propanal;N,2,3-trimethylaniline is sourced from PubChem (CID 154675662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).