ethane;3-ethenyl-N-ethyl-5-methylaniline;molecular hydrogen

C13H23N — CID 142172173

IUPACethane;3-ethenyl-N-ethyl-5-methylaniline;molecular hydrogen
SMILESC=Cc1cc(C)cc(NCC)c1.CC.[H][H]
InChIInChI=1S/C11H15N.C2H6.H2/c1-4-10-6-9(3)7-11(8-10)12-5-2;1-2;/h4,6-8,12H,1,5H2,2-3H3;1-2H3;1H
InChIKeyDAQXFPFXOZQFOU-UHFFFAOYSA-N
MW193.33 g/mol
LogP4.34
Rot. Bonds3

About ethane;3-ethenyl-N-ethyl-5-methylaniline;molecular hydrogen

ethane;3-ethenyl-N-ethyl-5-methylaniline;molecular hydrogen (PubChem CID 142172173) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is ethane;3-ethenyl-N-ethyl-5-methylaniline;molecular hydrogen.

Molecular Properties

Compound Nameethane;3-ethenyl-N-ethyl-5-methylaniline;molecular hydrogen
PubChem CID142172173
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Nameethane;3-ethenyl-N-ethyl-5-methylaniline;molecular hydrogen
SMILESC=Cc1cc(C)cc(NCC)c1.CC.[H][H]
InChIInChI=1S/C11H15N.C2H6.H2/c1-4-10-6-9(3)7-11(8-10)12-5-2;1-2;/h4,6-8,12H,1,5H2,2-3H3;1-2H3;1H
InChIKeyDAQXFPFXOZQFOU-UHFFFAOYSA-N
XLogP4.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(bromomethyl)-3-ethenyl-5-methylbenzene
CID 90007705
3-(ethylamino)-5-methylphenol
CID 15404865
ethane;3-ethenyl-5-methylbenzenethiol
CID 142152698
3-ethenyl-5-methylbenzenethiol
CID 142152699
1,3-bis(ethenyl)-5-methylbenzene;1-ethenyl-4-methylbenzene
CID 158777597
methyl 3-(ethylamino)-5-methylbenzoate
CID 58789800
1-ethenyl-3-methyl-5-(4-methylphenyl)benzene
CID 167311921
2-bromo-1-N,3-N-diethyl-5-methylbenzene-1,3-diamine
CID 174639511
4-ethenyl-3-N-ethyl-6-methylbenzene-1,3-diamine
CID 164587046
1,3,5-tris(ethenyl)benzene
CID 10219562
2-N,4-N-bis(3,5-dimethylphenyl)-6-N-ethyl-1,3,5-triazine-2,4,6-triamine
CID 102301037
2-[(3,5-dimethylanilino)methyl]-2-ethylbutan-1-ol
CID 81411803

Frequently Asked Questions

What is the IUPAC name of ethane;3-ethenyl-N-ethyl-5-methylaniline;molecular hydrogen?
The IUPAC name of ethane;3-ethenyl-N-ethyl-5-methylaniline;molecular hydrogen (CID 142172173) is ethane;3-ethenyl-N-ethyl-5-methylaniline;molecular hydrogen.
What is the SMILES notation for ethane;3-ethenyl-N-ethyl-5-methylaniline;molecular hydrogen?
The canonical SMILES for ethane;3-ethenyl-N-ethyl-5-methylaniline;molecular hydrogen is C=Cc1cc(C)cc(NCC)c1.CC.[H][H].
What is the InChIKey of ethane;3-ethenyl-N-ethyl-5-methylaniline;molecular hydrogen?
The InChIKey is DAQXFPFXOZQFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N.C2H6.H2/c1-4-10-6-9(3)7-11(8-10)12-5-2;1-2;/h4,6-8,12H,1,5H2,2-3H3;1-2H3;1H.
What are the key properties of ethane;3-ethenyl-N-ethyl-5-methylaniline;molecular hydrogen?
ethane;3-ethenyl-N-ethyl-5-methylaniline;molecular hydrogen has a molecular weight of 193.33 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethenyl-N-ethyl-5-methylaniline;molecular hydrogen is sourced from PubChem (CID 142172173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).