1-N,1-N,6-N,6-N-tetraethyl-3,8-dimethylpyrene-1,6-diamine

C26H32N2 — CID 58322895

IUPAC1-N,1-N,6-N,6-N-tetraethyl-3,8-dimethylpyrene-1,6-diamine
SMILESCCN(CC)c1cc(C)c2ccc3c(N(CC)CC)cc(C)c4ccc1c2c43
InChIInChI=1S/C26H32N2/c1-7-27(8-2)23-15-17(5)19-12-14-22-24(28(9-3)10-4)16-18(6)20-11-13-21(23)25(19)26(20)22/h11-16H,7-10H2,1-6H3
InChIKeyFCQGLQFVWJSWBO-UHFFFAOYSA-N
MW372.56 g/mol
LogP6.89
Rot. Bonds6

About 1-N,1-N,6-N,6-N-tetraethyl-3,8-dimethylpyrene-1,6-diamine

1-N,1-N,6-N,6-N-tetraethyl-3,8-dimethylpyrene-1,6-diamine (PubChem CID 58322895) has the molecular formula C26H32N2 and a molecular weight of 372.56 g/mol. Its IUPAC name is 1-N,1-N,6-N,6-N-tetraethyl-3,8-dimethylpyrene-1,6-diamine.

Molecular Properties

Compound Name1-N,1-N,6-N,6-N-tetraethyl-3,8-dimethylpyrene-1,6-diamine
PubChem CID58322895
Molecular FormulaC26H32N2
Molecular Weight372.56 g/mol
Exact Mass372.26
IUPAC Name1-N,1-N,6-N,6-N-tetraethyl-3,8-dimethylpyrene-1,6-diamine
SMILESCCN(CC)c1cc(C)c2ccc3c(N(CC)CC)cc(C)c4ccc1c2c43
InChIInChI=1S/C26H32N2/c1-7-27(8-2)23-15-17(5)19-12-14-22-24(28(9-3)10-4)16-18(6)20-11-13-21(23)25(19)26(20)22/h11-16H,7-10H2,1-6H3
InChIKeyFCQGLQFVWJSWBO-UHFFFAOYSA-N
XLogP6.89
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.56
LogP ≤ 56.89
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-tetraethyl-3,8-dimethylpyrene-1,6-diamine?
The IUPAC name of 1-N,1-N,6-N,6-N-tetraethyl-3,8-dimethylpyrene-1,6-diamine (CID 58322895) is 1-N,1-N,6-N,6-N-tetraethyl-3,8-dimethylpyrene-1,6-diamine.
What is the SMILES notation for 1-N,1-N,6-N,6-N-tetraethyl-3,8-dimethylpyrene-1,6-diamine?
The canonical SMILES for 1-N,1-N,6-N,6-N-tetraethyl-3,8-dimethylpyrene-1,6-diamine is CCN(CC)c1cc(C)c2ccc3c(N(CC)CC)cc(C)c4ccc1c2c43.
What is the InChIKey of 1-N,1-N,6-N,6-N-tetraethyl-3,8-dimethylpyrene-1,6-diamine?
The InChIKey is FCQGLQFVWJSWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2/c1-7-27(8-2)23-15-17(5)19-12-14-22-24(28(9-3)10-4)16-18(6)20-11-13-21(23)25(19)26(20)22/h11-16H,7-10H2,1-6H3.
What are the key properties of 1-N,1-N,6-N,6-N-tetraethyl-3,8-dimethylpyrene-1,6-diamine?
1-N,1-N,6-N,6-N-tetraethyl-3,8-dimethylpyrene-1,6-diamine has a molecular weight of 372.56 g/mol, XLogP of 6.89, 6 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-tetraethyl-3,8-dimethylpyrene-1,6-diamine is sourced from PubChem (CID 58322895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).