2,3,4,5,6-pentamethylaniline

C11H17N — CID 596025

IUPAC2,3,4,5,6-pentamethylaniline
SMILESCc1c(C)c(C)c(N)c(C)c1C
InChIInChI=1S/C11H17N/c1-6-7(2)9(4)11(12)10(5)8(6)3/h12H2,1-5H3
InChIKeyDCBKKCYNUSINPI-UHFFFAOYSA-N
MW163.26 g/mol
LogP2.81
Rot. Bonds

About 2,3,4,5,6-pentamethylaniline

2,3,4,5,6-pentamethylaniline (PubChem CID 596025) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 2,3,4,5,6-pentamethylaniline.

Molecular Properties

Compound Name2,3,4,5,6-pentamethylaniline
PubChem CID596025
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name2,3,4,5,6-pentamethylaniline
SMILESCc1c(C)c(C)c(N)c(C)c1C
InChIInChI=1S/C11H17N/c1-6-7(2)9(4)11(12)10(5)8(6)3/h12H2,1-5H3
InChIKeyDCBKKCYNUSINPI-UHFFFAOYSA-N
XLogP2.81
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentamethylaniline?
The IUPAC name of 2,3,4,5,6-pentamethylaniline (CID 596025) is 2,3,4,5,6-pentamethylaniline.
What is the SMILES notation for 2,3,4,5,6-pentamethylaniline?
The canonical SMILES for 2,3,4,5,6-pentamethylaniline is Cc1c(C)c(C)c(N)c(C)c1C.
What is the InChIKey of 2,3,4,5,6-pentamethylaniline?
The InChIKey is DCBKKCYNUSINPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-6-7(2)9(4)11(12)10(5)8(6)3/h12H2,1-5H3.
What are the key properties of 2,3,4,5,6-pentamethylaniline?
2,3,4,5,6-pentamethylaniline has a molecular weight of 163.26 g/mol, XLogP of 2.81, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentamethylaniline is sourced from PubChem (CID 596025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).