9-butan-2-yl-3-N,3-N,6-N,6-N-tetramethylacridine-3,6-diamine

C21H27N3 — CID 27794

IUPAC9-butan-2-yl-3-N,3-N,6-N,6-N-tetramethylacridine-3,6-diamine
SMILESCCC(C)c1c2ccc(N(C)C)cc2nc2cc(N(C)C)ccc12
InChIInChI=1S/C21H27N3/c1-7-14(2)21-17-10-8-15(23(3)4)12-19(17)22-20-13-16(24(5)6)9-11-18(20)21/h8-14H,7H2,1-6H3
InChIKeyRMTHKKRHBUPALY-UHFFFAOYSA-N
MW321.47 g/mol
LogP5.03
Rot. Bonds4

About 9-butan-2-yl-3-N,3-N,6-N,6-N-tetramethylacridine-3,6-diamine

9-butan-2-yl-3-N,3-N,6-N,6-N-tetramethylacridine-3,6-diamine (PubChem CID 27794) has the molecular formula C21H27N3 and a molecular weight of 321.47 g/mol. Its IUPAC name is 9-butan-2-yl-3-N,3-N,6-N,6-N-tetramethylacridine-3,6-diamine.

Molecular Properties

Compound Name9-butan-2-yl-3-N,3-N,6-N,6-N-tetramethylacridine-3,6-diamine
PubChem CID27794
Molecular FormulaC21H27N3
Molecular Weight321.47 g/mol
Exact Mass321.22
IUPAC Name9-butan-2-yl-3-N,3-N,6-N,6-N-tetramethylacridine-3,6-diamine
SMILESCCC(C)c1c2ccc(N(C)C)cc2nc2cc(N(C)C)ccc12
InChIInChI=1S/C21H27N3/c1-7-14(2)21-17-10-8-15(23(3)4)12-19(17)22-20-13-16(24(5)6)9-11-18(20)21/h8-14H,7H2,1-6H3
InChIKeyRMTHKKRHBUPALY-UHFFFAOYSA-N
XLogP5.03
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.47
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-butan-2-yl-3-N,3-N,6-N,6-N-tetramethylacridine-3,6-diamine?
The IUPAC name of 9-butan-2-yl-3-N,3-N,6-N,6-N-tetramethylacridine-3,6-diamine (CID 27794) is 9-butan-2-yl-3-N,3-N,6-N,6-N-tetramethylacridine-3,6-diamine.
What is the SMILES notation for 9-butan-2-yl-3-N,3-N,6-N,6-N-tetramethylacridine-3,6-diamine?
The canonical SMILES for 9-butan-2-yl-3-N,3-N,6-N,6-N-tetramethylacridine-3,6-diamine is CCC(C)c1c2ccc(N(C)C)cc2nc2cc(N(C)C)ccc12.
What is the InChIKey of 9-butan-2-yl-3-N,3-N,6-N,6-N-tetramethylacridine-3,6-diamine?
The InChIKey is RMTHKKRHBUPALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3/c1-7-14(2)21-17-10-8-15(23(3)4)12-19(17)22-20-13-16(24(5)6)9-11-18(20)21/h8-14H,7H2,1-6H3.
What are the key properties of 9-butan-2-yl-3-N,3-N,6-N,6-N-tetramethylacridine-3,6-diamine?
9-butan-2-yl-3-N,3-N,6-N,6-N-tetramethylacridine-3,6-diamine has a molecular weight of 321.47 g/mol, XLogP of 5.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-butan-2-yl-3-N,3-N,6-N,6-N-tetramethylacridine-3,6-diamine is sourced from PubChem (CID 27794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).