1-N,1-N,6-N,6-N-tetramethylpyrene-1,6-diamine

C20H20N2 — CID 11369728

IUPAC1-N,1-N,6-N,6-N-tetramethylpyrene-1,6-diamine
SMILESCN(C)c1ccc2ccc3c(N(C)C)ccc4ccc1c2c43
InChIInChI=1S/C20H20N2/c1-21(2)17-11-7-13-6-10-16-18(22(3)4)12-8-14-5-9-15(17)19(13)20(14)16/h5-12H,1-4H3
InChIKeyJRBWOWYKCAJMBC-UHFFFAOYSA-N
MW288.39 g/mol
LogP4.72
Rot. Bonds2

About 1-N,1-N,6-N,6-N-tetramethylpyrene-1,6-diamine

1-N,1-N,6-N,6-N-tetramethylpyrene-1,6-diamine (PubChem CID 11369728) has the molecular formula C20H20N2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-N,1-N,6-N,6-N-tetramethylpyrene-1,6-diamine.

Molecular Properties

Compound Name1-N,1-N,6-N,6-N-tetramethylpyrene-1,6-diamine
PubChem CID11369728
Molecular FormulaC20H20N2
Molecular Weight288.39 g/mol
Exact Mass288.16
IUPAC Name1-N,1-N,6-N,6-N-tetramethylpyrene-1,6-diamine
SMILESCN(C)c1ccc2ccc3c(N(C)C)ccc4ccc1c2c43
InChIInChI=1S/C20H20N2/c1-21(2)17-11-7-13-6-10-16-18(22(3)4)12-8-14-5-9-15(17)19(13)20(14)16/h5-12H,1-4H3
InChIKeyJRBWOWYKCAJMBC-UHFFFAOYSA-N
XLogP4.72
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,6-N,6-N-tetramethylpyrene-1,6-diamine?
The IUPAC name of 1-N,1-N,6-N,6-N-tetramethylpyrene-1,6-diamine (CID 11369728) is 1-N,1-N,6-N,6-N-tetramethylpyrene-1,6-diamine.
What is the SMILES notation for 1-N,1-N,6-N,6-N-tetramethylpyrene-1,6-diamine?
The canonical SMILES for 1-N,1-N,6-N,6-N-tetramethylpyrene-1,6-diamine is CN(C)c1ccc2ccc3c(N(C)C)ccc4ccc1c2c43.
What is the InChIKey of 1-N,1-N,6-N,6-N-tetramethylpyrene-1,6-diamine?
The InChIKey is JRBWOWYKCAJMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2/c1-21(2)17-11-7-13-6-10-16-18(22(3)4)12-8-14-5-9-15(17)19(13)20(14)16/h5-12H,1-4H3.
What are the key properties of 1-N,1-N,6-N,6-N-tetramethylpyrene-1,6-diamine?
1-N,1-N,6-N,6-N-tetramethylpyrene-1,6-diamine has a molecular weight of 288.39 g/mol, XLogP of 4.72, 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,6-N,6-N-tetramethylpyrene-1,6-diamine is sourced from PubChem (CID 11369728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).