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

C21H30ClN3 — CID 23464025

IUPAC10-butyl-3-N,3-N,6-N,6-N-tetramethyl-1H-acridine-3,6-diamine;hydrochloride
SMILESCCCCN1C2=CC(N(C)C)=CCC2=Cc2ccc(N(C)C)cc21.Cl
InChIInChI=1S/C21H29N3.ClH/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;1H
InChIKeyBDTIAXUFORGUTH-UHFFFAOYSA-N
MW359.95 g/mol
LogP4.91
Rot. Bonds5

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

10-butyl-3-N,3-N,6-N,6-N-tetramethyl-1H-acridine-3,6-diamine;hydrochloride (PubChem CID 23464025) has the molecular formula C21H30ClN3 and a molecular weight of 359.95 g/mol. Its IUPAC name is 10-butyl-3-N,3-N,6-N,6-N-tetramethyl-1H-acridine-3,6-diamine;hydrochloride.

Molecular Properties

Compound Name10-butyl-3-N,3-N,6-N,6-N-tetramethyl-1H-acridine-3,6-diamine;hydrochloride
PubChem CID23464025
Molecular FormulaC21H30ClN3
Molecular Weight359.95 g/mol
Exact Mass359.21
IUPAC Name10-butyl-3-N,3-N,6-N,6-N-tetramethyl-1H-acridine-3,6-diamine;hydrochloride
SMILESCCCCN1C2=CC(N(C)C)=CCC2=Cc2ccc(N(C)C)cc21.Cl
InChIInChI=1S/C21H29N3.ClH/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;1H
InChIKeyBDTIAXUFORGUTH-UHFFFAOYSA-N
XLogP4.91
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.95
LogP ≤ 54.91
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;hydrochloride?
The IUPAC name of 10-butyl-3-N,3-N,6-N,6-N-tetramethyl-1H-acridine-3,6-diamine;hydrochloride (CID 23464025) is 10-butyl-3-N,3-N,6-N,6-N-tetramethyl-1H-acridine-3,6-diamine;hydrochloride.
What is the SMILES notation for 10-butyl-3-N,3-N,6-N,6-N-tetramethyl-1H-acridine-3,6-diamine;hydrochloride?
The canonical SMILES for 10-butyl-3-N,3-N,6-N,6-N-tetramethyl-1H-acridine-3,6-diamine;hydrochloride is CCCCN1C2=CC(N(C)C)=CCC2=Cc2ccc(N(C)C)cc21.Cl.
What is the InChIKey of 10-butyl-3-N,3-N,6-N,6-N-tetramethyl-1H-acridine-3,6-diamine;hydrochloride?
The InChIKey is BDTIAXUFORGUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3.ClH/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;1H.
What are the key properties of 10-butyl-3-N,3-N,6-N,6-N-tetramethyl-1H-acridine-3,6-diamine;hydrochloride?
10-butyl-3-N,3-N,6-N,6-N-tetramethyl-1H-acridine-3,6-diamine;hydrochloride has a molecular weight of 359.95 g/mol, XLogP of 4.91, 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;hydrochloride is sourced from PubChem (CID 23464025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).