ethane;3-ethyl-2-N,2-N-dimethylbenzene-1,2-diamine

C14H28N2 — CID 142426314

IUPACethane;3-ethyl-2-N,2-N-dimethylbenzene-1,2-diamine
SMILESCC.CC.CCc1cccc(N)c1N(C)C
InChIInChI=1S/C10H16N2.2C2H6/c1-4-8-6-5-7-9(11)10(8)12(2)3;2*1-2/h5-7H,4,11H2,1-3H3;2*1-2H3
InChIKeyXMGNOHDNCGTTHJ-UHFFFAOYSA-N
MW224.39 g/mol
LogP3.95
Rot. Bonds2

About ethane;3-ethyl-2-N,2-N-dimethylbenzene-1,2-diamine

ethane;3-ethyl-2-N,2-N-dimethylbenzene-1,2-diamine (PubChem CID 142426314) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is ethane;3-ethyl-2-N,2-N-dimethylbenzene-1,2-diamine.

Molecular Properties

Compound Nameethane;3-ethyl-2-N,2-N-dimethylbenzene-1,2-diamine
PubChem CID142426314
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Nameethane;3-ethyl-2-N,2-N-dimethylbenzene-1,2-diamine
SMILESCC.CC.CCc1cccc(N)c1N(C)C
InChIInChI=1S/C10H16N2.2C2H6/c1-4-8-6-5-7-9(11)10(8)12(2)3;2*1-2/h5-7H,4,11H2,1-3H3;2*1-2H3
InChIKeyXMGNOHDNCGTTHJ-UHFFFAOYSA-N
XLogP3.95
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-ethylaniline
CID 90841248
2-ethylaniline;propane
CID 143529464
3-ethyl-2-methylaniline
CID 19879636
2,6-diethylaniline;propane
CID 174429495
2,6-diethylaniline;iron(2+)
CID 175873065
2-ethylaniline;1-N,2-N,2-N-trimethylbenzene-1,2-diamine
CID 161139066
2-N-ethyl-2-N,3-dimethylbenzene-1,2-diamine
CID 115550058
2-ethylaniline;sulfuric acid
CID 67820112
3-(methoxymethoxy)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 11820011
N'-(2-ethyl-6-methylphenyl)-N'-methylethane-1,2-diamine
CID 28772632
N'-(2,6-diethylphenyl)-N',2-dimethylpropane-1,3-diamine
CID 112514390
1,3-diethyl-2-iodobenzene
CID 18690512

Frequently Asked Questions

What is the IUPAC name of ethane;3-ethyl-2-N,2-N-dimethylbenzene-1,2-diamine?
The IUPAC name of ethane;3-ethyl-2-N,2-N-dimethylbenzene-1,2-diamine (CID 142426314) is ethane;3-ethyl-2-N,2-N-dimethylbenzene-1,2-diamine.
What is the SMILES notation for ethane;3-ethyl-2-N,2-N-dimethylbenzene-1,2-diamine?
The canonical SMILES for ethane;3-ethyl-2-N,2-N-dimethylbenzene-1,2-diamine is CC.CC.CCc1cccc(N)c1N(C)C.
What is the InChIKey of ethane;3-ethyl-2-N,2-N-dimethylbenzene-1,2-diamine?
The InChIKey is XMGNOHDNCGTTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2.2C2H6/c1-4-8-6-5-7-9(11)10(8)12(2)3;2*1-2/h5-7H,4,11H2,1-3H3;2*1-2H3.
What are the key properties of ethane;3-ethyl-2-N,2-N-dimethylbenzene-1,2-diamine?
ethane;3-ethyl-2-N,2-N-dimethylbenzene-1,2-diamine has a molecular weight of 224.39 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethyl-2-N,2-N-dimethylbenzene-1,2-diamine is sourced from PubChem (CID 142426314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).