N-heptyl-1,2,3,4-tetrahydroacridin-9-amine

C20H28N2 — CID 3087102

IUPACN-heptyl-1,2,3,4-tetrahydroacridin-9-amine
SMILESCCCCCCCNc1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C20H28N2/c1-2-3-4-5-10-15-21-20-16-11-6-8-13-18(16)22-19-14-9-7-12-17(19)20/h6,8,11,13H,2-5,7,9-10,12,14-15H2,1H3,(H,21,22)
InChIKeyHQRYMINYXXVYNF-UHFFFAOYSA-N
MW296.46 g/mol
LogP5.50
Rot. Bonds7

About N-heptyl-1,2,3,4-tetrahydroacridin-9-amine

N-heptyl-1,2,3,4-tetrahydroacridin-9-amine (PubChem CID 3087102) has the molecular formula C20H28N2 and a molecular weight of 296.46 g/mol. Its IUPAC name is N-heptyl-1,2,3,4-tetrahydroacridin-9-amine.

Molecular Properties

Compound NameN-heptyl-1,2,3,4-tetrahydroacridin-9-amine
PubChem CID3087102
Molecular FormulaC20H28N2
Molecular Weight296.46 g/mol
Exact Mass296.23
IUPAC NameN-heptyl-1,2,3,4-tetrahydroacridin-9-amine
SMILESCCCCCCCNc1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C20H28N2/c1-2-3-4-5-10-15-21-20-16-11-6-8-13-18(16)22-19-14-9-7-12-17(19)20/h6,8,11,13H,2-5,7,9-10,12,14-15H2,1H3,(H,21,22)
InChIKeyHQRYMINYXXVYNF-UHFFFAOYSA-N
XLogP5.50
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.46
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-heptyl-1,2,3,4-tetrahydroacridin-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-heptyl-1,2,3,4-tetrahydroacridin-9-amine?
The IUPAC name of N-heptyl-1,2,3,4-tetrahydroacridin-9-amine (CID 3087102) is N-heptyl-1,2,3,4-tetrahydroacridin-9-amine.
What is the SMILES notation for N-heptyl-1,2,3,4-tetrahydroacridin-9-amine?
The canonical SMILES for N-heptyl-1,2,3,4-tetrahydroacridin-9-amine is CCCCCCCNc1c2c(nc3ccccc13)CCCC2.
What is the InChIKey of N-heptyl-1,2,3,4-tetrahydroacridin-9-amine?
The InChIKey is HQRYMINYXXVYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2/c1-2-3-4-5-10-15-21-20-16-11-6-8-13-18(16)22-19-14-9-7-12-17(19)20/h6,8,11,13H,2-5,7,9-10,12,14-15H2,1H3,(H,21,22).
What are the key properties of N-heptyl-1,2,3,4-tetrahydroacridin-9-amine?
N-heptyl-1,2,3,4-tetrahydroacridin-9-amine has a molecular weight of 296.46 g/mol, XLogP of 5.50, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptyl-1,2,3,4-tetrahydroacridin-9-amine is sourced from PubChem (CID 3087102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).