N-[(5,6-dimethyl-1,2,3,4-tetrahydroacridin-9-yl)methyl]butan-1-amine

C20H28N2 — CID 82450662

IUPACN-[(5,6-dimethyl-1,2,3,4-tetrahydroacridin-9-yl)methyl]butan-1-amine
SMILESCCCCNCc1c2c(nc3c(C)c(C)ccc13)CCCC2
InChIInChI=1S/C20H28N2/c1-4-5-12-21-13-18-16-8-6-7-9-19(16)22-20-15(3)14(2)10-11-17(18)20/h10-11,21H,4-9,12-13H2,1-3H3
InChIKeyLOMGYRGPOVFHQQ-UHFFFAOYSA-N
MW296.46 g/mol
LogP4.62
Rot. Bonds5

About N-[(5,6-dimethyl-1,2,3,4-tetrahydroacridin-9-yl)methyl]butan-1-amine

N-[(5,6-dimethyl-1,2,3,4-tetrahydroacridin-9-yl)methyl]butan-1-amine (PubChem CID 82450662) has the molecular formula C20H28N2 and a molecular weight of 296.46 g/mol. Its IUPAC name is N-[(5,6-dimethyl-1,2,3,4-tetrahydroacridin-9-yl)methyl]butan-1-amine.

Molecular Properties

Compound NameN-[(5,6-dimethyl-1,2,3,4-tetrahydroacridin-9-yl)methyl]butan-1-amine
PubChem CID82450662
Molecular FormulaC20H28N2
Molecular Weight296.46 g/mol
Exact Mass296.23
IUPAC NameN-[(5,6-dimethyl-1,2,3,4-tetrahydroacridin-9-yl)methyl]butan-1-amine
SMILESCCCCNCc1c2c(nc3c(C)c(C)ccc13)CCCC2
InChIInChI=1S/C20H28N2/c1-4-5-12-21-13-18-16-8-6-7-9-19(16)22-20-15(3)14(2)10-11-17(18)20/h10-11,21H,4-9,12-13H2,1-3H3
InChIKeyLOMGYRGPOVFHQQ-UHFFFAOYSA-N
XLogP4.62
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 54.62
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-[(5,6-dimethyl-1,2,3,4-tetrahydroacridin-9-yl)methyl]butan-1-amine?
The IUPAC name of N-[(5,6-dimethyl-1,2,3,4-tetrahydroacridin-9-yl)methyl]butan-1-amine (CID 82450662) is N-[(5,6-dimethyl-1,2,3,4-tetrahydroacridin-9-yl)methyl]butan-1-amine.
What is the SMILES notation for N-[(5,6-dimethyl-1,2,3,4-tetrahydroacridin-9-yl)methyl]butan-1-amine?
The canonical SMILES for N-[(5,6-dimethyl-1,2,3,4-tetrahydroacridin-9-yl)methyl]butan-1-amine is CCCCNCc1c2c(nc3c(C)c(C)ccc13)CCCC2.
What is the InChIKey of N-[(5,6-dimethyl-1,2,3,4-tetrahydroacridin-9-yl)methyl]butan-1-amine?
The InChIKey is LOMGYRGPOVFHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2/c1-4-5-12-21-13-18-16-8-6-7-9-19(16)22-20-15(3)14(2)10-11-17(18)20/h10-11,21H,4-9,12-13H2,1-3H3.
What are the key properties of N-[(5,6-dimethyl-1,2,3,4-tetrahydroacridin-9-yl)methyl]butan-1-amine?
N-[(5,6-dimethyl-1,2,3,4-tetrahydroacridin-9-yl)methyl]butan-1-amine has a molecular weight of 296.46 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,6-dimethyl-1,2,3,4-tetrahydroacridin-9-yl)methyl]butan-1-amine is sourced from PubChem (CID 82450662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).