1,4-bis(methylamino)-1,2,8,8a-tetrahydroanthracene-9,10-dione

C16H18N2O2 — CID 146542545

IUPAC1,4-bis(methylamino)-1,2,8,8a-tetrahydroanthracene-9,10-dione
SMILESCNC1=CCC(NC)C2=C1C(=O)C1=CC=CCC1C2=O
InChIInChI=1S/C16H18N2O2/c1-17-11-7-8-12(18-2)14-13(11)15(19)9-5-3-4-6-10(9)16(14)20/h3-5,7,10,12,17-18H,6,8H2,1-2H3
InChIKeyUPWADSLATAFUDJ-UHFFFAOYSA-N
MW270.33 g/mol
LogP1.03
Rot. Bonds2

About 1,4-bis(methylamino)-1,2,8,8a-tetrahydroanthracene-9,10-dione

1,4-bis(methylamino)-1,2,8,8a-tetrahydroanthracene-9,10-dione (PubChem CID 146542545) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1,4-bis(methylamino)-1,2,8,8a-tetrahydroanthracene-9,10-dione.

Molecular Properties

Compound Name1,4-bis(methylamino)-1,2,8,8a-tetrahydroanthracene-9,10-dione
PubChem CID146542545
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name1,4-bis(methylamino)-1,2,8,8a-tetrahydroanthracene-9,10-dione
SMILESCNC1=CCC(NC)C2=C1C(=O)C1=CC=CCC1C2=O
InChIInChI=1S/C16H18N2O2/c1-17-11-7-8-12(18-2)14-13(11)15(19)9-5-3-4-6-10(9)16(14)20/h3-5,7,10,12,17-18H,6,8H2,1-2H3
InChIKeyUPWADSLATAFUDJ-UHFFFAOYSA-N
XLogP1.03
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis(methylamino)-1,2,8,8a-tetrahydroanthracene-9,10-dione?
The IUPAC name of 1,4-bis(methylamino)-1,2,8,8a-tetrahydroanthracene-9,10-dione (CID 146542545) is 1,4-bis(methylamino)-1,2,8,8a-tetrahydroanthracene-9,10-dione.
What is the SMILES notation for 1,4-bis(methylamino)-1,2,8,8a-tetrahydroanthracene-9,10-dione?
The canonical SMILES for 1,4-bis(methylamino)-1,2,8,8a-tetrahydroanthracene-9,10-dione is CNC1=CCC(NC)C2=C1C(=O)C1=CC=CCC1C2=O.
What is the InChIKey of 1,4-bis(methylamino)-1,2,8,8a-tetrahydroanthracene-9,10-dione?
The InChIKey is UPWADSLATAFUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-17-11-7-8-12(18-2)14-13(11)15(19)9-5-3-4-6-10(9)16(14)20/h3-5,7,10,12,17-18H,6,8H2,1-2H3.
What are the key properties of 1,4-bis(methylamino)-1,2,8,8a-tetrahydroanthracene-9,10-dione?
1,4-bis(methylamino)-1,2,8,8a-tetrahydroanthracene-9,10-dione has a molecular weight of 270.33 g/mol, XLogP of 1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(methylamino)-1,2,8,8a-tetrahydroanthracene-9,10-dione is sourced from PubChem (CID 146542545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).