N-[(4-aminocyclohexyl)methyl]acridin-9-amine

C20H23N3 — CID 59230418

IUPACN-[(4-aminocyclohexyl)methyl]acridin-9-amine
SMILESNC1CCC(CNc2c3ccccc3nc3ccccc23)CC1
InChIInChI=1S/C20H23N3/c21-15-11-9-14(10-12-15)13-22-20-16-5-1-3-7-18(16)23-19-8-4-2-6-17(19)20/h1-8,14-15H,9-13,21H2,(H,22,23)
InChIKeyMUODBEHHNWCTCP-UHFFFAOYSA-N
MW305.43 g/mol
LogP4.32
Rot. Bonds3

About N-[(4-aminocyclohexyl)methyl]acridin-9-amine

N-[(4-aminocyclohexyl)methyl]acridin-9-amine (PubChem CID 59230418) has the molecular formula C20H23N3 and a molecular weight of 305.43 g/mol. Its IUPAC name is N-[(4-aminocyclohexyl)methyl]acridin-9-amine.

Molecular Properties

Compound NameN-[(4-aminocyclohexyl)methyl]acridin-9-amine
PubChem CID59230418
Molecular FormulaC20H23N3
Molecular Weight305.43 g/mol
Exact Mass305.19
IUPAC NameN-[(4-aminocyclohexyl)methyl]acridin-9-amine
SMILESNC1CCC(CNc2c3ccccc3nc3ccccc23)CC1
InChIInChI=1S/C20H23N3/c21-15-11-9-14(10-12-15)13-22-20-16-5-1-3-7-18(16)23-19-8-4-2-6-17(19)20/h1-8,14-15H,9-13,21H2,(H,22,23)
InChIKeyMUODBEHHNWCTCP-UHFFFAOYSA-N
XLogP4.32
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(4-aminocyclohexyl)methyl]acridin-9-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminocyclohexyl)methyl]acridin-9-amine?
The IUPAC name of N-[(4-aminocyclohexyl)methyl]acridin-9-amine (CID 59230418) is N-[(4-aminocyclohexyl)methyl]acridin-9-amine.
What is the SMILES notation for N-[(4-aminocyclohexyl)methyl]acridin-9-amine?
The canonical SMILES for N-[(4-aminocyclohexyl)methyl]acridin-9-amine is NC1CCC(CNc2c3ccccc3nc3ccccc23)CC1.
What is the InChIKey of N-[(4-aminocyclohexyl)methyl]acridin-9-amine?
The InChIKey is MUODBEHHNWCTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3/c21-15-11-9-14(10-12-15)13-22-20-16-5-1-3-7-18(16)23-19-8-4-2-6-17(19)20/h1-8,14-15H,9-13,21H2,(H,22,23).
What are the key properties of N-[(4-aminocyclohexyl)methyl]acridin-9-amine?
N-[(4-aminocyclohexyl)methyl]acridin-9-amine has a molecular weight of 305.43 g/mol, XLogP of 4.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminocyclohexyl)methyl]acridin-9-amine is sourced from PubChem (CID 59230418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).