2,6-diethylaniline;propane

C13H23N — CID 174429495

IUPAC2,6-diethylaniline;propane
SMILESCCC.CCc1cccc(CC)c1N
InChIInChI=1S/C10H15N.C3H8/c1-3-8-6-5-7-9(4-2)10(8)11;1-3-2/h5-7H,3-4,11H2,1-2H3;3H2,1-2H3
InChIKeyIVWBPXXSDZCOGU-UHFFFAOYSA-N
MW193.33 g/mol
LogP3.81
Rot. Bonds2

About 2,6-diethylaniline;propane

2,6-diethylaniline;propane (PubChem CID 174429495) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 2,6-diethylaniline;propane.

Molecular Properties

Compound Name2,6-diethylaniline;propane
PubChem CID174429495
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name2,6-diethylaniline;propane
SMILESCCC.CCc1cccc(CC)c1N
InChIInChI=1S/C10H15N.C3H8/c1-3-8-6-5-7-9(4-2)10(8)11;1-3-2/h5-7H,3-4,11H2,1-2H3;3H2,1-2H3
InChIKeyIVWBPXXSDZCOGU-UHFFFAOYSA-N
XLogP3.81
TPSA26.02 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 ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,6-diethylaniline;iron(2+)
CID 175873065
2-(chloromethyl)-6-ethylaniline;hydrochloride
CID 13350301
2-ethyl-6-prop-2-enylaniline
CID 11975891
2-ethylaniline;propane
CID 143529464
methyl 3-(2-amino-3-ethylphenyl)propanoate
CID 138486943
ethane;2-ethylaniline
CID 90841248
3-ethyl-2-methylaniline
CID 19879636
2-ethyl-6-(piperazin-1-ylmethyl)aniline
CID 82509243
2,3,6-triethylaniline
CID 21412862
1,2-diethylbenzene;hydrobromide
CID 174973685
boric acid;2-ethyl-6-phenylaniline;methanol
CID 175445116
2-ethyl-6-prop-2-enylsulfanylaniline
CID 139758072

Frequently Asked Questions

What is the IUPAC name of 2,6-diethylaniline;propane?
The IUPAC name of 2,6-diethylaniline;propane (CID 174429495) is 2,6-diethylaniline;propane.
What is the SMILES notation for 2,6-diethylaniline;propane?
The canonical SMILES for 2,6-diethylaniline;propane is CCC.CCc1cccc(CC)c1N.
What is the InChIKey of 2,6-diethylaniline;propane?
The InChIKey is IVWBPXXSDZCOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N.C3H8/c1-3-8-6-5-7-9(4-2)10(8)11;1-3-2/h5-7H,3-4,11H2,1-2H3;3H2,1-2H3.
What are the key properties of 2,6-diethylaniline;propane?
2,6-diethylaniline;propane has a molecular weight of 193.33 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diethylaniline;propane is sourced from PubChem (CID 174429495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).