N-heptyl-7-methoxy-1,2,3,4-tetrahydroacridin-9-amine

C21H30N2O — CID 10496398

IUPACN-heptyl-7-methoxy-1,2,3,4-tetrahydroacridin-9-amine
SMILESCCCCCCCNc1c2c(nc3ccc(OC)cc13)CCCC2
InChIInChI=1S/C21H30N2O/c1-3-4-5-6-9-14-22-21-17-10-7-8-11-19(17)23-20-13-12-16(24-2)15-18(20)21/h12-13,15H,3-11,14H2,1-2H3,(H,22,23)
InChIKeyXRCKCYUZWSKFGD-UHFFFAOYSA-N
MW326.48 g/mol
LogP5.50
Rot. Bonds8

About N-heptyl-7-methoxy-1,2,3,4-tetrahydroacridin-9-amine

N-heptyl-7-methoxy-1,2,3,4-tetrahydroacridin-9-amine (PubChem CID 10496398) has the molecular formula C21H30N2O and a molecular weight of 326.48 g/mol. Its IUPAC name is N-heptyl-7-methoxy-1,2,3,4-tetrahydroacridin-9-amine.

Molecular Properties

Compound NameN-heptyl-7-methoxy-1,2,3,4-tetrahydroacridin-9-amine
PubChem CID10496398
Molecular FormulaC21H30N2O
Molecular Weight326.48 g/mol
Exact Mass326.24
IUPAC NameN-heptyl-7-methoxy-1,2,3,4-tetrahydroacridin-9-amine
SMILESCCCCCCCNc1c2c(nc3ccc(OC)cc13)CCCC2
InChIInChI=1S/C21H30N2O/c1-3-4-5-6-9-14-22-21-17-10-7-8-11-19(17)23-20-13-12-16(24-2)15-18(20)21/h12-13,15H,3-11,14H2,1-2H3,(H,22,23)
InChIKeyXRCKCYUZWSKFGD-UHFFFAOYSA-N
XLogP5.50
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.48
LogP ≤ 55.50
H-Bond Donors ≤ 51
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-heptyl-7-methoxy-1,2,3,4-tetrahydroacridin-9-amine?
The IUPAC name of N-heptyl-7-methoxy-1,2,3,4-tetrahydroacridin-9-amine (CID 10496398) is N-heptyl-7-methoxy-1,2,3,4-tetrahydroacridin-9-amine.
What is the SMILES notation for N-heptyl-7-methoxy-1,2,3,4-tetrahydroacridin-9-amine?
The canonical SMILES for N-heptyl-7-methoxy-1,2,3,4-tetrahydroacridin-9-amine is CCCCCCCNc1c2c(nc3ccc(OC)cc13)CCCC2.
What is the InChIKey of N-heptyl-7-methoxy-1,2,3,4-tetrahydroacridin-9-amine?
The InChIKey is XRCKCYUZWSKFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O/c1-3-4-5-6-9-14-22-21-17-10-7-8-11-19(17)23-20-13-12-16(24-2)15-18(20)21/h12-13,15H,3-11,14H2,1-2H3,(H,22,23).
What are the key properties of N-heptyl-7-methoxy-1,2,3,4-tetrahydroacridin-9-amine?
N-heptyl-7-methoxy-1,2,3,4-tetrahydroacridin-9-amine has a molecular weight of 326.48 g/mol, XLogP of 5.50, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptyl-7-methoxy-1,2,3,4-tetrahydroacridin-9-amine is sourced from PubChem (CID 10496398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).