N,N,3,4,5-pentamethylaniline

C11H17N — CID 18327246

IUPACN,N,3,4,5-pentamethylaniline
SMILESCc1cc(N(C)C)cc(C)c1C
InChIInChI=1S/C11H17N/c1-8-6-11(12(4)5)7-9(2)10(8)3/h6-7H,1-5H3
InChIKeyQLRXZUGGMVJUJU-UHFFFAOYSA-N
MW163.26 g/mol
LogP2.68
Rot. Bonds1

About N,N,3,4,5-pentamethylaniline

N,N,3,4,5-pentamethylaniline (PubChem CID 18327246) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is N,N,3,4,5-pentamethylaniline.

Molecular Properties

Compound NameN,N,3,4,5-pentamethylaniline
PubChem CID18327246
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC NameN,N,3,4,5-pentamethylaniline
SMILESCc1cc(N(C)C)cc(C)c1C
InChIInChI=1S/C11H17N/c1-8-6-11(12(4)5)7-9(2)10(8)3/h6-7H,1-5H3
InChIKeyQLRXZUGGMVJUJU-UHFFFAOYSA-N
XLogP2.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N,3,4,5-pentamethylaniline?
The IUPAC name of N,N,3,4,5-pentamethylaniline (CID 18327246) is N,N,3,4,5-pentamethylaniline.
What is the SMILES notation for N,N,3,4,5-pentamethylaniline?
The canonical SMILES for N,N,3,4,5-pentamethylaniline is Cc1cc(N(C)C)cc(C)c1C.
What is the InChIKey of N,N,3,4,5-pentamethylaniline?
The InChIKey is QLRXZUGGMVJUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-8-6-11(12(4)5)7-9(2)10(8)3/h6-7H,1-5H3.
What are the key properties of N,N,3,4,5-pentamethylaniline?
N,N,3,4,5-pentamethylaniline has a molecular weight of 163.26 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3,4,5-pentamethylaniline is sourced from PubChem (CID 18327246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).