N-(9-amino-1,2,3,4-tetrahydroacridin-1-yl)hexanamide

C19H25N3O — CID 14536422

IUPACN-(9-amino-1,2,3,4-tetrahydroacridin-1-yl)hexanamide
SMILESCCCCCC(=O)NC1CCCc2nc3ccccc3c(N)c21
InChIInChI=1S/C19H25N3O/c1-2-3-4-12-17(23)22-16-11-7-10-15-18(16)19(20)13-8-5-6-9-14(13)21-15/h5-6,8-9,16H,2-4,7,10-12H2,1H3,(H2,20,21)(H,22,23)
InChIKeyJUTRHMRTBXPPIH-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.89
Rot. Bonds5

About N-(9-amino-1,2,3,4-tetrahydroacridin-1-yl)hexanamide

N-(9-amino-1,2,3,4-tetrahydroacridin-1-yl)hexanamide (PubChem CID 14536422) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is N-(9-amino-1,2,3,4-tetrahydroacridin-1-yl)hexanamide.

Molecular Properties

Compound NameN-(9-amino-1,2,3,4-tetrahydroacridin-1-yl)hexanamide
PubChem CID14536422
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC NameN-(9-amino-1,2,3,4-tetrahydroacridin-1-yl)hexanamide
SMILESCCCCCC(=O)NC1CCCc2nc3ccccc3c(N)c21
InChIInChI=1S/C19H25N3O/c1-2-3-4-12-17(23)22-16-11-7-10-15-18(16)19(20)13-8-5-6-9-14(13)21-15/h5-6,8-9,16H,2-4,7,10-12H2,1H3,(H2,20,21)(H,22,23)
InChIKeyJUTRHMRTBXPPIH-UHFFFAOYSA-N
XLogP3.89
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(9-amino-1,2,3,4-tetrahydroacridin-1-yl)hexanamide?
The IUPAC name of N-(9-amino-1,2,3,4-tetrahydroacridin-1-yl)hexanamide (CID 14536422) is N-(9-amino-1,2,3,4-tetrahydroacridin-1-yl)hexanamide.
What is the SMILES notation for N-(9-amino-1,2,3,4-tetrahydroacridin-1-yl)hexanamide?
The canonical SMILES for N-(9-amino-1,2,3,4-tetrahydroacridin-1-yl)hexanamide is CCCCCC(=O)NC1CCCc2nc3ccccc3c(N)c21.
What is the InChIKey of N-(9-amino-1,2,3,4-tetrahydroacridin-1-yl)hexanamide?
The InChIKey is JUTRHMRTBXPPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-2-3-4-12-17(23)22-16-11-7-10-15-18(16)19(20)13-8-5-6-9-14(13)21-15/h5-6,8-9,16H,2-4,7,10-12H2,1H3,(H2,20,21)(H,22,23).
What are the key properties of N-(9-amino-1,2,3,4-tetrahydroacridin-1-yl)hexanamide?
N-(9-amino-1,2,3,4-tetrahydroacridin-1-yl)hexanamide has a molecular weight of 311.43 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-amino-1,2,3,4-tetrahydroacridin-1-yl)hexanamide is sourced from PubChem (CID 14536422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).