2,3,4,5,6-pentamethyl-N-propylaniline

C14H23N — CID 15501686

IUPAC2,3,4,5,6-pentamethyl-N-propylaniline
SMILESCCCNc1c(C)c(C)c(C)c(C)c1C
InChIInChI=1S/C14H23N/c1-7-8-15-14-12(5)10(3)9(2)11(4)13(14)6/h15H,7-8H2,1-6H3
InChIKeyJVNGWWMVVRMXHM-UHFFFAOYSA-N
MW205.34 g/mol
LogP4.05
Rot. Bonds3

About 2,3,4,5,6-pentamethyl-N-propylaniline

2,3,4,5,6-pentamethyl-N-propylaniline (PubChem CID 15501686) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is 2,3,4,5,6-pentamethyl-N-propylaniline.

Molecular Properties

Compound Name2,3,4,5,6-pentamethyl-N-propylaniline
PubChem CID15501686
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name2,3,4,5,6-pentamethyl-N-propylaniline
SMILESCCCNc1c(C)c(C)c(C)c(C)c1C
InChIInChI=1S/C14H23N/c1-7-8-15-14-12(5)10(3)9(2)11(4)13(14)6/h15H,7-8H2,1-6H3
InChIKeyJVNGWWMVVRMXHM-UHFFFAOYSA-N
XLogP4.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentamethyl-N-propylaniline?
The IUPAC name of 2,3,4,5,6-pentamethyl-N-propylaniline (CID 15501686) is 2,3,4,5,6-pentamethyl-N-propylaniline.
What is the SMILES notation for 2,3,4,5,6-pentamethyl-N-propylaniline?
The canonical SMILES for 2,3,4,5,6-pentamethyl-N-propylaniline is CCCNc1c(C)c(C)c(C)c(C)c1C.
What is the InChIKey of 2,3,4,5,6-pentamethyl-N-propylaniline?
The InChIKey is JVNGWWMVVRMXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-7-8-15-14-12(5)10(3)9(2)11(4)13(14)6/h15H,7-8H2,1-6H3.
What are the key properties of 2,3,4,5,6-pentamethyl-N-propylaniline?
2,3,4,5,6-pentamethyl-N-propylaniline has a molecular weight of 205.34 g/mol, XLogP of 4.05, 3 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-pentamethyl-N-propylaniline is sourced from PubChem (CID 15501686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).