N-[4-(4-propan-2-ylpiperazin-1-yl)butyl]acridin-9-amine

C24H32N4 — CID 44531421

IUPACN-[4-(4-propan-2-ylpiperazin-1-yl)butyl]acridin-9-amine
SMILESCC(C)N1CCN(CCCCNc2c3ccccc3nc3ccccc23)CC1
InChIInChI=1S/C24H32N4/c1-19(2)28-17-15-27(16-18-28)14-8-7-13-25-24-20-9-3-5-11-22(20)26-23-12-6-4-10-21(23)24/h3-6,9-12,19H,7-8,13-18H2,1-2H3,(H,25,26)
InChIKeyXACBOOJKBSTNOH-UHFFFAOYSA-N
MW376.55 g/mol
LogP4.61
Rot. Bonds7

About N-[4-(4-propan-2-ylpiperazin-1-yl)butyl]acridin-9-amine

N-[4-(4-propan-2-ylpiperazin-1-yl)butyl]acridin-9-amine (PubChem CID 44531421) has the molecular formula C24H32N4 and a molecular weight of 376.55 g/mol. Its IUPAC name is N-[4-(4-propan-2-ylpiperazin-1-yl)butyl]acridin-9-amine.

Molecular Properties

Compound NameN-[4-(4-propan-2-ylpiperazin-1-yl)butyl]acridin-9-amine
PubChem CID44531421
Molecular FormulaC24H32N4
Molecular Weight376.55 g/mol
Exact Mass376.26
IUPAC NameN-[4-(4-propan-2-ylpiperazin-1-yl)butyl]acridin-9-amine
SMILESCC(C)N1CCN(CCCCNc2c3ccccc3nc3ccccc23)CC1
InChIInChI=1S/C24H32N4/c1-19(2)28-17-15-27(16-18-28)14-8-7-13-25-24-20-9-3-5-11-22(20)26-23-12-6-4-10-21(23)24/h3-6,9-12,19H,7-8,13-18H2,1-2H3,(H,25,26)
InChIKeyXACBOOJKBSTNOH-UHFFFAOYSA-N
XLogP4.61
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.55
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amino_acridine_A(46)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-propan-2-ylpiperazin-1-yl)butyl]acridin-9-amine?
The IUPAC name of N-[4-(4-propan-2-ylpiperazin-1-yl)butyl]acridin-9-amine (CID 44531421) is N-[4-(4-propan-2-ylpiperazin-1-yl)butyl]acridin-9-amine.
What is the SMILES notation for N-[4-(4-propan-2-ylpiperazin-1-yl)butyl]acridin-9-amine?
The canonical SMILES for N-[4-(4-propan-2-ylpiperazin-1-yl)butyl]acridin-9-amine is CC(C)N1CCN(CCCCNc2c3ccccc3nc3ccccc23)CC1.
What is the InChIKey of N-[4-(4-propan-2-ylpiperazin-1-yl)butyl]acridin-9-amine?
The InChIKey is XACBOOJKBSTNOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4/c1-19(2)28-17-15-27(16-18-28)14-8-7-13-25-24-20-9-3-5-11-22(20)26-23-12-6-4-10-21(23)24/h3-6,9-12,19H,7-8,13-18H2,1-2H3,(H,25,26).
What are the key properties of N-[4-(4-propan-2-ylpiperazin-1-yl)butyl]acridin-9-amine?
N-[4-(4-propan-2-ylpiperazin-1-yl)butyl]acridin-9-amine has a molecular weight of 376.55 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-propan-2-ylpiperazin-1-yl)butyl]acridin-9-amine is sourced from PubChem (CID 44531421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).