1-N,1-N,4-N,4-N,2,3,5,6-octamethylbenzene-1,4-diamine

C14H24N2 — CID 3546439

IUPAC1-N,1-N,4-N,4-N,2,3,5,6-octamethylbenzene-1,4-diamine
SMILESCc1c(C)c(N(C)C)c(C)c(C)c1N(C)C
InChIInChI=1S/C14H24N2/c1-9-10(2)14(16(7)8)12(4)11(3)13(9)15(5)6/h1-8H3
InChIKeyVUPCNYZESCJTRQ-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.05
Rot. Bonds2

About 1-N,1-N,4-N,4-N,2,3,5,6-octamethylbenzene-1,4-diamine

1-N,1-N,4-N,4-N,2,3,5,6-octamethylbenzene-1,4-diamine (PubChem CID 3546439) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 1-N,1-N,4-N,4-N,2,3,5,6-octamethylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N,1-N,4-N,4-N,2,3,5,6-octamethylbenzene-1,4-diamine
PubChem CID3546439
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name1-N,1-N,4-N,4-N,2,3,5,6-octamethylbenzene-1,4-diamine
SMILESCc1c(C)c(N(C)C)c(C)c(C)c1N(C)C
InChIInChI=1S/C14H24N2/c1-9-10(2)14(16(7)8)12(4)11(3)13(9)15(5)6/h1-8H3
InChIKeyVUPCNYZESCJTRQ-UHFFFAOYSA-N
XLogP3.05
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,4-N,4-N,2,3,5,6-octamethylbenzene-1,4-diamine?
The IUPAC name of 1-N,1-N,4-N,4-N,2,3,5,6-octamethylbenzene-1,4-diamine (CID 3546439) is 1-N,1-N,4-N,4-N,2,3,5,6-octamethylbenzene-1,4-diamine.
What is the SMILES notation for 1-N,1-N,4-N,4-N,2,3,5,6-octamethylbenzene-1,4-diamine?
The canonical SMILES for 1-N,1-N,4-N,4-N,2,3,5,6-octamethylbenzene-1,4-diamine is Cc1c(C)c(N(C)C)c(C)c(C)c1N(C)C.
What is the InChIKey of 1-N,1-N,4-N,4-N,2,3,5,6-octamethylbenzene-1,4-diamine?
The InChIKey is VUPCNYZESCJTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-9-10(2)14(16(7)8)12(4)11(3)13(9)15(5)6/h1-8H3.
What are the key properties of 1-N,1-N,4-N,4-N,2,3,5,6-octamethylbenzene-1,4-diamine?
1-N,1-N,4-N,4-N,2,3,5,6-octamethylbenzene-1,4-diamine has a molecular weight of 220.36 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,4-N,4-N,2,3,5,6-octamethylbenzene-1,4-diamine is sourced from PubChem (CID 3546439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).