N,N-diethyl-2,6-dimethylaniline

C12H19N — CID 520973

IUPACN,N-diethyl-2,6-dimethylaniline
SMILESCCN(CC)c1c(C)cccc1C
InChIInChI=1S/C12H19N/c1-5-13(6-2)12-10(3)8-7-9-11(12)4/h7-9H,5-6H2,1-4H3
InChIKeyKECFTDQVRIBMCH-UHFFFAOYSA-N
MW177.29 g/mol
LogP3.15
Rot. Bonds3

About N,N-diethyl-2,6-dimethylaniline

N,N-diethyl-2,6-dimethylaniline (PubChem CID 520973) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is N,N-diethyl-2,6-dimethylaniline.

Molecular Properties

Compound NameN,N-diethyl-2,6-dimethylaniline
PubChem CID520973
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC NameN,N-diethyl-2,6-dimethylaniline
SMILESCCN(CC)c1c(C)cccc1C
InChIInChI=1S/C12H19N/c1-5-13(6-2)12-10(3)8-7-9-11(12)4/h7-9H,5-6H2,1-4H3
InChIKeyKECFTDQVRIBMCH-UHFFFAOYSA-N
XLogP3.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2,6-dimethylaniline?
The IUPAC name of N,N-diethyl-2,6-dimethylaniline (CID 520973) is N,N-diethyl-2,6-dimethylaniline.
What is the SMILES notation for N,N-diethyl-2,6-dimethylaniline?
The canonical SMILES for N,N-diethyl-2,6-dimethylaniline is CCN(CC)c1c(C)cccc1C.
What is the InChIKey of N,N-diethyl-2,6-dimethylaniline?
The InChIKey is KECFTDQVRIBMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-5-13(6-2)12-10(3)8-7-9-11(12)4/h7-9H,5-6H2,1-4H3.
What are the key properties of N,N-diethyl-2,6-dimethylaniline?
N,N-diethyl-2,6-dimethylaniline has a molecular weight of 177.29 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2,6-dimethylaniline is sourced from PubChem (CID 520973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).