N-(5-phenylpentyl)-1,2,3,4-tetrahydroacridin-9-amine

C24H28N2 — CID 10545415

IUPACN-(5-phenylpentyl)-1,2,3,4-tetrahydroacridin-9-amine
SMILESc1ccc(CCCCCNc2c3c(nc4ccccc24)CCCC3)cc1
InChIInChI=1S/C24H28N2/c1-3-11-19(12-4-1)13-5-2-10-18-25-24-20-14-6-8-16-22(20)26-23-17-9-7-15-21(23)24/h1,3-4,6,8,11-12,14,16H,2,5,7,9-10,13,15,17-18H2,(H,25,26)
InChIKeyCLKWCAVWZNMVJM-UHFFFAOYSA-N
MW344.50 g/mol
LogP5.94
Rot. Bonds7

About N-(5-phenylpentyl)-1,2,3,4-tetrahydroacridin-9-amine

N-(5-phenylpentyl)-1,2,3,4-tetrahydroacridin-9-amine (PubChem CID 10545415) has the molecular formula C24H28N2 and a molecular weight of 344.50 g/mol. Its IUPAC name is N-(5-phenylpentyl)-1,2,3,4-tetrahydroacridin-9-amine.

Molecular Properties

Compound NameN-(5-phenylpentyl)-1,2,3,4-tetrahydroacridin-9-amine
PubChem CID10545415
Molecular FormulaC24H28N2
Molecular Weight344.50 g/mol
Exact Mass344.23
IUPAC NameN-(5-phenylpentyl)-1,2,3,4-tetrahydroacridin-9-amine
SMILESc1ccc(CCCCCNc2c3c(nc4ccccc24)CCCC3)cc1
InChIInChI=1S/C24H28N2/c1-3-11-19(12-4-1)13-5-2-10-18-25-24-20-14-6-8-16-22(20)26-23-17-9-7-15-21(23)24/h1,3-4,6,8,11-12,14,16H,2,5,7,9-10,13,15,17-18H2,(H,25,26)
InChIKeyCLKWCAVWZNMVJM-UHFFFAOYSA-N
XLogP5.94
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.50
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(5-phenylpentyl)-1,2,3,4-tetrahydroacridin-9-amine?
The IUPAC name of N-(5-phenylpentyl)-1,2,3,4-tetrahydroacridin-9-amine (CID 10545415) is N-(5-phenylpentyl)-1,2,3,4-tetrahydroacridin-9-amine.
What is the SMILES notation for N-(5-phenylpentyl)-1,2,3,4-tetrahydroacridin-9-amine?
The canonical SMILES for N-(5-phenylpentyl)-1,2,3,4-tetrahydroacridin-9-amine is c1ccc(CCCCCNc2c3c(nc4ccccc24)CCCC3)cc1.
What is the InChIKey of N-(5-phenylpentyl)-1,2,3,4-tetrahydroacridin-9-amine?
The InChIKey is CLKWCAVWZNMVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2/c1-3-11-19(12-4-1)13-5-2-10-18-25-24-20-14-6-8-16-22(20)26-23-17-9-7-15-21(23)24/h1,3-4,6,8,11-12,14,16H,2,5,7,9-10,13,15,17-18H2,(H,25,26).
What are the key properties of N-(5-phenylpentyl)-1,2,3,4-tetrahydroacridin-9-amine?
N-(5-phenylpentyl)-1,2,3,4-tetrahydroacridin-9-amine has a molecular weight of 344.50 g/mol, XLogP of 5.94, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-phenylpentyl)-1,2,3,4-tetrahydroacridin-9-amine is sourced from PubChem (CID 10545415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).