5,7-dimethyl-1,2,3,4-tetrahydroacridin-10-ium-9-amine

C15H19N2+ — CID 6940373

IUPAC5,7-dimethyl-1,2,3,4-tetrahydroacridin-10-ium-9-amine
SMILESCc1cc(C)c2[nH+]c3c(c(N)c2c1)CCCC3
InChIInChI=1S/C15H18N2/c1-9-7-10(2)15-12(8-9)14(16)11-5-3-4-6-13(11)17-15/h7-8H,3-6H2,1-2H3,(H2,16,17)/p+1
InChIKeyAJDMOOPMKMTOLB-UHFFFAOYSA-O
MW227.33 g/mol
LogP2.73
Rot. Bonds

About 5,7-dimethyl-1,2,3,4-tetrahydroacridin-10-ium-9-amine

5,7-dimethyl-1,2,3,4-tetrahydroacridin-10-ium-9-amine (PubChem CID 6940373) has the molecular formula C15H19N2+ and a molecular weight of 227.33 g/mol. Its IUPAC name is 5,7-dimethyl-1,2,3,4-tetrahydroacridin-10-ium-9-amine.

Molecular Properties

Compound Name5,7-dimethyl-1,2,3,4-tetrahydroacridin-10-ium-9-amine
PubChem CID6940373
Molecular FormulaC15H19N2+
Molecular Weight227.33 g/mol
Exact Mass227.15
IUPAC Name5,7-dimethyl-1,2,3,4-tetrahydroacridin-10-ium-9-amine
SMILESCc1cc(C)c2[nH+]c3c(c(N)c2c1)CCCC3
InChIInChI=1S/C15H18N2/c1-9-7-10(2)15-12(8-9)14(16)11-5-3-4-6-13(11)17-15/h7-8H,3-6H2,1-2H3,(H2,16,17)/p+1
InChIKeyAJDMOOPMKMTOLB-UHFFFAOYSA-O
XLogP2.73
TPSA40.16 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-1,2,3,4-tetrahydroacridin-10-ium-9-amine?
The IUPAC name of 5,7-dimethyl-1,2,3,4-tetrahydroacridin-10-ium-9-amine (CID 6940373) is 5,7-dimethyl-1,2,3,4-tetrahydroacridin-10-ium-9-amine.
What is the SMILES notation for 5,7-dimethyl-1,2,3,4-tetrahydroacridin-10-ium-9-amine?
The canonical SMILES for 5,7-dimethyl-1,2,3,4-tetrahydroacridin-10-ium-9-amine is Cc1cc(C)c2[nH+]c3c(c(N)c2c1)CCCC3.
What is the InChIKey of 5,7-dimethyl-1,2,3,4-tetrahydroacridin-10-ium-9-amine?
The InChIKey is AJDMOOPMKMTOLB-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H18N2/c1-9-7-10(2)15-12(8-9)14(16)11-5-3-4-6-13(11)17-15/h7-8H,3-6H2,1-2H3,(H2,16,17)/p+1.
What are the key properties of 5,7-dimethyl-1,2,3,4-tetrahydroacridin-10-ium-9-amine?
5,7-dimethyl-1,2,3,4-tetrahydroacridin-10-ium-9-amine has a molecular weight of 227.33 g/mol, XLogP of 2.73, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-1,2,3,4-tetrahydroacridin-10-ium-9-amine is sourced from PubChem (CID 6940373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).