N-[4-(4-ethylpiperazin-1-yl)butyl]acridin-9-amine

C23H30N4 — CID 44531415

IUPACN-[4-(4-ethylpiperazin-1-yl)butyl]acridin-9-amine
SMILESCCN1CCN(CCCCNc2c3ccccc3nc3ccccc23)CC1
InChIInChI=1S/C23H30N4/c1-2-26-15-17-27(18-16-26)14-8-7-13-24-23-19-9-3-5-11-21(19)25-22-12-6-4-10-20(22)23/h3-6,9-12H,2,7-8,13-18H2,1H3,(H,24,25)
InChIKeyAECIVIXXNVVOLT-UHFFFAOYSA-N
MW362.52 g/mol
LogP4.22
Rot. Bonds7

About N-[4-(4-ethylpiperazin-1-yl)butyl]acridin-9-amine

N-[4-(4-ethylpiperazin-1-yl)butyl]acridin-9-amine (PubChem CID 44531415) has the molecular formula C23H30N4 and a molecular weight of 362.52 g/mol. Its IUPAC name is N-[4-(4-ethylpiperazin-1-yl)butyl]acridin-9-amine.

Molecular Properties

Compound NameN-[4-(4-ethylpiperazin-1-yl)butyl]acridin-9-amine
PubChem CID44531415
Molecular FormulaC23H30N4
Molecular Weight362.52 g/mol
Exact Mass362.25
IUPAC NameN-[4-(4-ethylpiperazin-1-yl)butyl]acridin-9-amine
SMILESCCN1CCN(CCCCNc2c3ccccc3nc3ccccc23)CC1
InChIInChI=1S/C23H30N4/c1-2-26-15-17-27(18-16-26)14-8-7-13-24-23-19-9-3-5-11-21(19)25-22-12-6-4-10-20(22)23/h3-6,9-12H,2,7-8,13-18H2,1H3,(H,24,25)
InChIKeyAECIVIXXNVVOLT-UHFFFAOYSA-N
XLogP4.22
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 54.22
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-ethylpiperazin-1-yl)butyl]acridin-9-amine?
The IUPAC name of N-[4-(4-ethylpiperazin-1-yl)butyl]acridin-9-amine (CID 44531415) is N-[4-(4-ethylpiperazin-1-yl)butyl]acridin-9-amine.
What is the SMILES notation for N-[4-(4-ethylpiperazin-1-yl)butyl]acridin-9-amine?
The canonical SMILES for N-[4-(4-ethylpiperazin-1-yl)butyl]acridin-9-amine is CCN1CCN(CCCCNc2c3ccccc3nc3ccccc23)CC1.
What is the InChIKey of N-[4-(4-ethylpiperazin-1-yl)butyl]acridin-9-amine?
The InChIKey is AECIVIXXNVVOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4/c1-2-26-15-17-27(18-16-26)14-8-7-13-24-23-19-9-3-5-11-21(19)25-22-12-6-4-10-20(22)23/h3-6,9-12H,2,7-8,13-18H2,1H3,(H,24,25).
What are the key properties of N-[4-(4-ethylpiperazin-1-yl)butyl]acridin-9-amine?
N-[4-(4-ethylpiperazin-1-yl)butyl]acridin-9-amine has a molecular weight of 362.52 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethylpiperazin-1-yl)butyl]acridin-9-amine is sourced from PubChem (CID 44531415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).