N-[[2-(dimethylamino)phenyl]methyl]-N'-(1,2,3,4-tetrahydroacridin-9-yl)nonane-1,9-diamine

C31H44N4 — CID 71461841

IUPACN-[[2-(dimethylamino)phenyl]methyl]-N'-(1,2,3,4-tetrahydroacridin-9-yl)nonane-1,9-diamine
SMILESCN(C)c1ccccc1CNCCCCCCCCCNc1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C31H44N4/c1-35(2)30-21-13-8-16-25(30)24-32-22-14-6-4-3-5-7-15-23-33-31-26-17-9-11-19-28(26)34-29-20-12-10-18-27(29)31/h8-9,11,13,16-17,19,21,32H,3-7,10,12,14-15,18,20,22-24H2,1-2H3,(H,33,34)
InChIKeyQDAAXOQEIPAFJS-UHFFFAOYSA-N
MW472.72 g/mol
LogP7.11
Rot. Bonds14

About N-[[2-(dimethylamino)phenyl]methyl]-N'-(1,2,3,4-tetrahydroacridin-9-yl)nonane-1,9-diamine

N-[[2-(dimethylamino)phenyl]methyl]-N'-(1,2,3,4-tetrahydroacridin-9-yl)nonane-1,9-diamine (PubChem CID 71461841) has the molecular formula C31H44N4 and a molecular weight of 472.72 g/mol. Its IUPAC name is N-[[2-(dimethylamino)phenyl]methyl]-N'-(1,2,3,4-tetrahydroacridin-9-yl)nonane-1,9-diamine.

Molecular Properties

Compound NameN-[[2-(dimethylamino)phenyl]methyl]-N'-(1,2,3,4-tetrahydroacridin-9-yl)nonane-1,9-diamine
PubChem CID71461841
Molecular FormulaC31H44N4
Molecular Weight472.72 g/mol
Exact Mass472.36
IUPAC NameN-[[2-(dimethylamino)phenyl]methyl]-N'-(1,2,3,4-tetrahydroacridin-9-yl)nonane-1,9-diamine
SMILESCN(C)c1ccccc1CNCCCCCCCCCNc1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C31H44N4/c1-35(2)30-21-13-8-16-25(30)24-32-22-14-6-4-3-5-7-15-23-33-31-26-17-9-11-19-28(26)34-29-20-12-10-18-27(29)31/h8-9,11,13,16-17,19,21,32H,3-7,10,12,14-15,18,20,22-24H2,1-2H3,(H,33,34)
InChIKeyQDAAXOQEIPAFJS-UHFFFAOYSA-N
XLogP7.11
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.72
LogP ≤ 57.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[[2-(dimethylamino)phenyl]methyl]-N'-(1,2,3,4-tetrahydroacridin-9-yl)nonane-1,9-diamine?
The IUPAC name of N-[[2-(dimethylamino)phenyl]methyl]-N'-(1,2,3,4-tetrahydroacridin-9-yl)nonane-1,9-diamine (CID 71461841) is N-[[2-(dimethylamino)phenyl]methyl]-N'-(1,2,3,4-tetrahydroacridin-9-yl)nonane-1,9-diamine.
What is the SMILES notation for N-[[2-(dimethylamino)phenyl]methyl]-N'-(1,2,3,4-tetrahydroacridin-9-yl)nonane-1,9-diamine?
The canonical SMILES for N-[[2-(dimethylamino)phenyl]methyl]-N'-(1,2,3,4-tetrahydroacridin-9-yl)nonane-1,9-diamine is CN(C)c1ccccc1CNCCCCCCCCCNc1c2c(nc3ccccc13)CCCC2.
What is the InChIKey of N-[[2-(dimethylamino)phenyl]methyl]-N'-(1,2,3,4-tetrahydroacridin-9-yl)nonane-1,9-diamine?
The InChIKey is QDAAXOQEIPAFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H44N4/c1-35(2)30-21-13-8-16-25(30)24-32-22-14-6-4-3-5-7-15-23-33-31-26-17-9-11-19-28(26)34-29-20-12-10-18-27(29)31/h8-9,11,13,16-17,19,21,32H,3-7,10,12,14-15,18,20,22-24H2,1-2H3,(H,33,34).
What are the key properties of N-[[2-(dimethylamino)phenyl]methyl]-N'-(1,2,3,4-tetrahydroacridin-9-yl)nonane-1,9-diamine?
N-[[2-(dimethylamino)phenyl]methyl]-N'-(1,2,3,4-tetrahydroacridin-9-yl)nonane-1,9-diamine has a molecular weight of 472.72 g/mol, XLogP of 7.11, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(dimethylamino)phenyl]methyl]-N'-(1,2,3,4-tetrahydroacridin-9-yl)nonane-1,9-diamine is sourced from PubChem (CID 71461841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).