N-[4-(4-propylpiperazin-1-yl)butyl]acridin-9-amine;hydrochloride

C24H33ClN4 — CID 44531426

IUPACN-[4-(4-propylpiperazin-1-yl)butyl]acridin-9-amine;hydrochloride
SMILESCCCN1CCN(CCCCNc2c3ccccc3nc3ccccc23)CC1.Cl
InChIInChI=1S/C24H32N4.ClH/c1-2-14-27-16-18-28(19-17-27)15-8-7-13-25-24-20-9-3-5-11-22(20)26-23-12-6-4-10-21(23)24;/h3-6,9-12H,2,7-8,13-19H2,1H3,(H,25,26);1H
InChIKeyMEMXTTZWRJOEIN-UHFFFAOYSA-N
MW413.01 g/mol
LogP5.03
Rot. Bonds8

About N-[4-(4-propylpiperazin-1-yl)butyl]acridin-9-amine;hydrochloride

N-[4-(4-propylpiperazin-1-yl)butyl]acridin-9-amine;hydrochloride (PubChem CID 44531426) has the molecular formula C24H33ClN4 and a molecular weight of 413.01 g/mol. Its IUPAC name is N-[4-(4-propylpiperazin-1-yl)butyl]acridin-9-amine;hydrochloride.

Molecular Properties

Compound NameN-[4-(4-propylpiperazin-1-yl)butyl]acridin-9-amine;hydrochloride
PubChem CID44531426
Molecular FormulaC24H33ClN4
Molecular Weight413.01 g/mol
Exact Mass412.24
IUPAC NameN-[4-(4-propylpiperazin-1-yl)butyl]acridin-9-amine;hydrochloride
SMILESCCCN1CCN(CCCCNc2c3ccccc3nc3ccccc23)CC1.Cl
InChIInChI=1S/C24H32N4.ClH/c1-2-14-27-16-18-28(19-17-27)15-8-7-13-25-24-20-9-3-5-11-22(20)26-23-12-6-4-10-21(23)24;/h3-6,9-12H,2,7-8,13-19H2,1H3,(H,25,26);1H
InChIKeyMEMXTTZWRJOEIN-UHFFFAOYSA-N
XLogP5.03
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.01
LogP ≤ 55.03
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-propylpiperazin-1-yl)butyl]acridin-9-amine;hydrochloride?
The IUPAC name of N-[4-(4-propylpiperazin-1-yl)butyl]acridin-9-amine;hydrochloride (CID 44531426) is N-[4-(4-propylpiperazin-1-yl)butyl]acridin-9-amine;hydrochloride.
What is the SMILES notation for N-[4-(4-propylpiperazin-1-yl)butyl]acridin-9-amine;hydrochloride?
The canonical SMILES for N-[4-(4-propylpiperazin-1-yl)butyl]acridin-9-amine;hydrochloride is CCCN1CCN(CCCCNc2c3ccccc3nc3ccccc23)CC1.Cl.
What is the InChIKey of N-[4-(4-propylpiperazin-1-yl)butyl]acridin-9-amine;hydrochloride?
The InChIKey is MEMXTTZWRJOEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4.ClH/c1-2-14-27-16-18-28(19-17-27)15-8-7-13-25-24-20-9-3-5-11-22(20)26-23-12-6-4-10-21(23)24;/h3-6,9-12H,2,7-8,13-19H2,1H3,(H,25,26);1H.
What are the key properties of N-[4-(4-propylpiperazin-1-yl)butyl]acridin-9-amine;hydrochloride?
N-[4-(4-propylpiperazin-1-yl)butyl]acridin-9-amine;hydrochloride has a molecular weight of 413.01 g/mol, XLogP of 5.03, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-propylpiperazin-1-yl)butyl]acridin-9-amine;hydrochloride is sourced from PubChem (CID 44531426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).