ethane;ethene;3-methylaniline

C11H19N — CID 145478894

IUPACethane;ethene;3-methylaniline
SMILESC=C.CC.Cc1cccc(N)c1
InChIInChI=1S/C7H9N.C2H6.C2H4/c1-6-3-2-4-7(8)5-6;2*1-2/h2-5H,8H2,1H3;1-2H3;1-2H2
InChIKeyIDNTZXHGOMOFPC-UHFFFAOYSA-N
MW165.28 g/mol
LogP3.41
Rot. Bonds

About ethane;ethene;3-methylaniline

ethane;ethene;3-methylaniline (PubChem CID 145478894) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is ethane;ethene;3-methylaniline.

Molecular Properties

Compound Nameethane;ethene;3-methylaniline
PubChem CID145478894
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Nameethane;ethene;3-methylaniline
SMILESC=C.CC.Cc1cccc(N)c1
InChIInChI=1S/C7H9N.C2H6.C2H4/c1-6-3-2-4-7(8)5-6;2*1-2/h2-5H,8H2,1H3;1-2H3;1-2H2
InChIKeyIDNTZXHGOMOFPC-UHFFFAOYSA-N
XLogP3.41
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-methylaniline
CID 7934
3-methylaniline chloride
CID 23334103
aniline;3-methylaniline
CID 70490422
acetic acid;ethane;3-methylaniline
CID 142238928
ethane;1,3-xylene
CID 54570178
3-methylaniline;sulfurous acid
CID 70507221
ethane;methane;1,3-xylene
CID 145463381
bis(3-methylaniline);sulfuric acid;dihydrate
CID 172789732
ethanol;formaldehyde;3-methylaniline;molecular hydrogen
CID 144555408
3-methylaniline;styrene
CID 174647241
but-1-yne;3-methylaniline
CID 158449016
copper;bis(3-methylaniline);oxalate
CID 3044027

Frequently Asked Questions

What is the IUPAC name of ethane;ethene;3-methylaniline?
The IUPAC name of ethane;ethene;3-methylaniline (CID 145478894) is ethane;ethene;3-methylaniline.
What is the SMILES notation for ethane;ethene;3-methylaniline?
The canonical SMILES for ethane;ethene;3-methylaniline is C=C.CC.Cc1cccc(N)c1.
What is the InChIKey of ethane;ethene;3-methylaniline?
The InChIKey is IDNTZXHGOMOFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N.C2H6.C2H4/c1-6-3-2-4-7(8)5-6;2*1-2/h2-5H,8H2,1H3;1-2H3;1-2H2.
What are the key properties of ethane;ethene;3-methylaniline?
ethane;ethene;3-methylaniline has a molecular weight of 165.28 g/mol, XLogP of 3.41, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethene;3-methylaniline is sourced from PubChem (CID 145478894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).