9-N,9-N,10-N,10-N-tetraethylanthracene-9,10-diamine

C22H28N2 — CID 14265487

IUPAC9-N,9-N,10-N,10-N-tetraethylanthracene-9,10-diamine
SMILESCCN(CC)c1c2ccccc2c(N(CC)CC)c2ccccc12
InChIInChI=1S/C22H28N2/c1-5-23(6-2)21-17-13-9-11-15-19(17)22(24(7-3)8-4)20-16-12-10-14-18(20)21/h9-16H,5-8H2,1-4H3
InChIKeyVPSYKFIVIAPQIA-UHFFFAOYSA-N
MW320.48 g/mol
LogP5.69
Rot. Bonds6

About 9-N,9-N,10-N,10-N-tetraethylanthracene-9,10-diamine

9-N,9-N,10-N,10-N-tetraethylanthracene-9,10-diamine (PubChem CID 14265487) has the molecular formula C22H28N2 and a molecular weight of 320.48 g/mol. Its IUPAC name is 9-N,9-N,10-N,10-N-tetraethylanthracene-9,10-diamine.

Molecular Properties

Compound Name9-N,9-N,10-N,10-N-tetraethylanthracene-9,10-diamine
PubChem CID14265487
Molecular FormulaC22H28N2
Molecular Weight320.48 g/mol
Exact Mass320.23
IUPAC Name9-N,9-N,10-N,10-N-tetraethylanthracene-9,10-diamine
SMILESCCN(CC)c1c2ccccc2c(N(CC)CC)c2ccccc12
InChIInChI=1S/C22H28N2/c1-5-23(6-2)21-17-13-9-11-15-19(17)22(24(7-3)8-4)20-16-12-10-14-18(20)21/h9-16H,5-8H2,1-4H3
InChIKeyVPSYKFIVIAPQIA-UHFFFAOYSA-N
XLogP5.69
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.48
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diaminobenzene_3', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

1-N,1-N,2-N,2-N-tetraethylnaphthalene-1,2-diamine
CID 22107474
1-[4-(diethylamino)-3-ethylnaphthalen-1-yl]ethanone
CID 15269387
2-[10-(diethylamino)anthracen-9-yl]-4-[10-(diethylamino)-1-hydroxyanthracen-9-yl]cyclobutane-1,3-diol
CID 154619934
N,N-diethylaniline
CID 7061
4-(diethylamino)-2-hydroxy-3-methoxynaphthalene-1-carbaldehyde
CID 134867738
2-[1,8-diamino-10-(dimethylamino)anthracen-9-yl]-4-[10-(diethylamino)anthracen-9-yl]cyclobutane-1,3-diolate
CID 154619613
3-(aminomethyl)-N,N-diethylquinolin-4-amine
CID 43669325
3-(diethylamino)-4-trimethylsilylchromen-2-one
CID 175690381
4-(diethylamino)quinoline-3-carboxylic acid
CID 13295830
2,4-bis[1,8-diamino-10-(diethylamino)anthracen-9-yl]cyclobutane-1,3-diol
CID 154619768
N,N-diethyl-3-methyl-1-methylsulfonylnaphthalen-2-amine
CID 14909498
2-[2-(diethylamino)phenyl]-N,N-diethylaniline
CID 158417392

Frequently Asked Questions

What is the IUPAC name of 9-N,9-N,10-N,10-N-tetraethylanthracene-9,10-diamine?
The IUPAC name of 9-N,9-N,10-N,10-N-tetraethylanthracene-9,10-diamine (CID 14265487) is 9-N,9-N,10-N,10-N-tetraethylanthracene-9,10-diamine.
What is the SMILES notation for 9-N,9-N,10-N,10-N-tetraethylanthracene-9,10-diamine?
The canonical SMILES for 9-N,9-N,10-N,10-N-tetraethylanthracene-9,10-diamine is CCN(CC)c1c2ccccc2c(N(CC)CC)c2ccccc12.
What is the InChIKey of 9-N,9-N,10-N,10-N-tetraethylanthracene-9,10-diamine?
The InChIKey is VPSYKFIVIAPQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2/c1-5-23(6-2)21-17-13-9-11-15-19(17)22(24(7-3)8-4)20-16-12-10-14-18(20)21/h9-16H,5-8H2,1-4H3.
What are the key properties of 9-N,9-N,10-N,10-N-tetraethylanthracene-9,10-diamine?
9-N,9-N,10-N,10-N-tetraethylanthracene-9,10-diamine has a molecular weight of 320.48 g/mol, XLogP of 5.69, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-N,9-N,10-N,10-N-tetraethylanthracene-9,10-diamine is sourced from PubChem (CID 14265487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).