ethane;N-ethenyl-2-methylaniline

C13H23N — CID 142183828

IUPACethane;N-ethenyl-2-methylaniline
SMILESC=CNc1ccccc1C.CC.CC
InChIInChI=1S/C9H11N.2C2H6/c1-3-10-9-7-5-4-6-8(9)2;2*1-2/h3-7,10H,1H2,2H3;2*1-2H3
InChIKeyYLTSGDVILOIHDT-UHFFFAOYSA-N
MW193.33 g/mol
LogP4.60
Rot. Bonds2

About ethane;N-ethenyl-2-methylaniline

ethane;N-ethenyl-2-methylaniline (PubChem CID 142183828) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is ethane;N-ethenyl-2-methylaniline.

Molecular Properties

Compound Nameethane;N-ethenyl-2-methylaniline
PubChem CID142183828
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Nameethane;N-ethenyl-2-methylaniline
SMILESC=CNc1ccccc1C.CC.CC
InChIInChI=1S/C9H11N.2C2H6/c1-3-10-9-7-5-4-6-8(9)2;2*1-2/h3-7,10H,1H2,2H3;2*1-2H3
InChIKeyYLTSGDVILOIHDT-UHFFFAOYSA-N
XLogP4.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

butane;N-ethenyl-2-methylaniline
CID 142042280
N-ethenyl-2,3-dimethylaniline
CID 70358153
2-methyl-N-[(1E,3E)-penta-1,3-dienyl]aniline
CID 156821299
N-but-3-en-2-yl-2-methylaniline
CID 14765790
N-ethenyl-3-fluoro-2-methylaniline
CID 138553512
N,2-dimethylaniline
CID 163768915
acetaldehyde;N,2-dimethylaniline;ethane
CID 143317223
chloromethane;ethane;N-ethynyl-2-methylaniline
CID 143604778
2-methyl-N-[(E)-3-phenylprop-1-enyl]aniline
CID 102211121
2-(ethenylamino)-N,N-diethylbenzamide
CID 10932915
3-(2-methylanilino)pent-4-enenitrile
CID 67325941
2,4,5-trimethyl-N-(2-methylphenyl)aniline
CID 142357624

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethenyl-2-methylaniline?
The IUPAC name of ethane;N-ethenyl-2-methylaniline (CID 142183828) is ethane;N-ethenyl-2-methylaniline.
What is the SMILES notation for ethane;N-ethenyl-2-methylaniline?
The canonical SMILES for ethane;N-ethenyl-2-methylaniline is C=CNc1ccccc1C.CC.CC.
What is the InChIKey of ethane;N-ethenyl-2-methylaniline?
The InChIKey is YLTSGDVILOIHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N.2C2H6/c1-3-10-9-7-5-4-6-8(9)2;2*1-2/h3-7,10H,1H2,2H3;2*1-2H3.
What are the key properties of ethane;N-ethenyl-2-methylaniline?
ethane;N-ethenyl-2-methylaniline has a molecular weight of 193.33 g/mol, XLogP of 4.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethenyl-2-methylaniline is sourced from PubChem (CID 142183828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).