ethane;2-ethenyl-3-ethyl-N-methylaniline

C13H21N — CID 142530553

IUPACethane;2-ethenyl-3-ethyl-N-methylaniline
SMILESC=Cc1c(CC)cccc1NC.CC
InChIInChI=1S/C11H15N.C2H6/c1-4-9-7-6-8-11(12-3)10(9)5-2;1-2/h5-8,12H,2,4H2,1,3H3;1-2H3
InChIKeySYOCJJCMBPYDJN-UHFFFAOYSA-N
MW191.32 g/mol
LogP3.96
Rot. Bonds3

About ethane;2-ethenyl-3-ethyl-N-methylaniline

ethane;2-ethenyl-3-ethyl-N-methylaniline (PubChem CID 142530553) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is ethane;2-ethenyl-3-ethyl-N-methylaniline.

Molecular Properties

Compound Nameethane;2-ethenyl-3-ethyl-N-methylaniline
PubChem CID142530553
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Nameethane;2-ethenyl-3-ethyl-N-methylaniline
SMILESC=Cc1c(CC)cccc1NC.CC
InChIInChI=1S/C11H15N.C2H6/c1-4-9-7-6-8-11(12-3)10(9)5-2;1-2/h5-8,12H,2,4H2,1,3H3;1-2H3
InChIKeySYOCJJCMBPYDJN-UHFFFAOYSA-N
XLogP3.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;2-ethenyl-3-ethyl-N-methylaniline?
The IUPAC name of ethane;2-ethenyl-3-ethyl-N-methylaniline (CID 142530553) is ethane;2-ethenyl-3-ethyl-N-methylaniline.
What is the SMILES notation for ethane;2-ethenyl-3-ethyl-N-methylaniline?
The canonical SMILES for ethane;2-ethenyl-3-ethyl-N-methylaniline is C=Cc1c(CC)cccc1NC.CC.
What is the InChIKey of ethane;2-ethenyl-3-ethyl-N-methylaniline?
The InChIKey is SYOCJJCMBPYDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N.C2H6/c1-4-9-7-6-8-11(12-3)10(9)5-2;1-2/h5-8,12H,2,4H2,1,3H3;1-2H3.
What are the key properties of ethane;2-ethenyl-3-ethyl-N-methylaniline?
ethane;2-ethenyl-3-ethyl-N-methylaniline has a molecular weight of 191.32 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethenyl-3-ethyl-N-methylaniline is sourced from PubChem (CID 142530553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).