10-butyl-3-N,3-N,6-N,6-N-tetramethyl-1H-acridine-3,6-diamine

C21H29N3 — CID 23464026

IUPAC10-butyl-3-N,3-N,6-N,6-N-tetramethyl-1H-acridine-3,6-diamine
SMILESCCCCN1C2=CC(N(C)C)=CCC2=Cc2ccc(N(C)C)cc21
InChIInChI=1S/C21H29N3/c1-6-7-12-24-20-14-18(22(2)3)10-8-16(20)13-17-9-11-19(23(4)5)15-21(17)24/h8,10-11,13-15H,6-7,9,12H2,1-5H3
InChIKeyKHQHRAUFZDFYRS-UHFFFAOYSA-N
MW323.48 g/mol
LogP4.49
Rot. Bonds5

About 10-butyl-3-N,3-N,6-N,6-N-tetramethyl-1H-acridine-3,6-diamine

10-butyl-3-N,3-N,6-N,6-N-tetramethyl-1H-acridine-3,6-diamine (PubChem CID 23464026) has the molecular formula C21H29N3 and a molecular weight of 323.48 g/mol. Its IUPAC name is 10-butyl-3-N,3-N,6-N,6-N-tetramethyl-1H-acridine-3,6-diamine.

Molecular Properties

Compound Name10-butyl-3-N,3-N,6-N,6-N-tetramethyl-1H-acridine-3,6-diamine
PubChem CID23464026
Molecular FormulaC21H29N3
Molecular Weight323.48 g/mol
Exact Mass323.24
IUPAC Name10-butyl-3-N,3-N,6-N,6-N-tetramethyl-1H-acridine-3,6-diamine
SMILESCCCCN1C2=CC(N(C)C)=CCC2=Cc2ccc(N(C)C)cc21
InChIInChI=1S/C21H29N3/c1-6-7-12-24-20-14-18(22(2)3)10-8-16(20)13-17-9-11-19(23(4)5)15-21(17)24/h8,10-11,13-15H,6-7,9,12H2,1-5H3
InChIKeyKHQHRAUFZDFYRS-UHFFFAOYSA-N
XLogP4.49
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-butyl-3-N,3-N,6-N,6-N-tetramethyl-1H-acridine-3,6-diamine?
The IUPAC name of 10-butyl-3-N,3-N,6-N,6-N-tetramethyl-1H-acridine-3,6-diamine (CID 23464026) is 10-butyl-3-N,3-N,6-N,6-N-tetramethyl-1H-acridine-3,6-diamine.
What is the SMILES notation for 10-butyl-3-N,3-N,6-N,6-N-tetramethyl-1H-acridine-3,6-diamine?
The canonical SMILES for 10-butyl-3-N,3-N,6-N,6-N-tetramethyl-1H-acridine-3,6-diamine is CCCCN1C2=CC(N(C)C)=CCC2=Cc2ccc(N(C)C)cc21.
What is the InChIKey of 10-butyl-3-N,3-N,6-N,6-N-tetramethyl-1H-acridine-3,6-diamine?
The InChIKey is KHQHRAUFZDFYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3/c1-6-7-12-24-20-14-18(22(2)3)10-8-16(20)13-17-9-11-19(23(4)5)15-21(17)24/h8,10-11,13-15H,6-7,9,12H2,1-5H3.
What are the key properties of 10-butyl-3-N,3-N,6-N,6-N-tetramethyl-1H-acridine-3,6-diamine?
10-butyl-3-N,3-N,6-N,6-N-tetramethyl-1H-acridine-3,6-diamine has a molecular weight of 323.48 g/mol, XLogP of 4.49, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-butyl-3-N,3-N,6-N,6-N-tetramethyl-1H-acridine-3,6-diamine is sourced from PubChem (CID 23464026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).