N',N'-dimethyl-N-(1,2,3,4-tetrahydroacridin-9-yl)octane-1,8-diamine

C23H35N3 — CID 10498282

IUPACN',N'-dimethyl-N-(1,2,3,4-tetrahydroacridin-9-yl)octane-1,8-diamine
SMILESCN(C)CCCCCCCCNc1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C23H35N3/c1-26(2)18-12-6-4-3-5-11-17-24-23-19-13-7-9-15-21(19)25-22-16-10-8-14-20(22)23/h7,9,13,15H,3-6,8,10-12,14,16-18H2,1-2H3,(H,24,25)
InChIKeyYBHMQTHNPQNNEB-UHFFFAOYSA-N
MW353.55 g/mol
LogP5.43
Rot. Bonds10

About N',N'-dimethyl-N-(1,2,3,4-tetrahydroacridin-9-yl)octane-1,8-diamine

N',N'-dimethyl-N-(1,2,3,4-tetrahydroacridin-9-yl)octane-1,8-diamine (PubChem CID 10498282) has the molecular formula C23H35N3 and a molecular weight of 353.55 g/mol. Its IUPAC name is N',N'-dimethyl-N-(1,2,3,4-tetrahydroacridin-9-yl)octane-1,8-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-(1,2,3,4-tetrahydroacridin-9-yl)octane-1,8-diamine
PubChem CID10498282
Molecular FormulaC23H35N3
Molecular Weight353.55 g/mol
Exact Mass353.28
IUPAC NameN',N'-dimethyl-N-(1,2,3,4-tetrahydroacridin-9-yl)octane-1,8-diamine
SMILESCN(C)CCCCCCCCNc1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C23H35N3/c1-26(2)18-12-6-4-3-5-11-17-24-23-19-13-7-9-15-21(19)25-22-16-10-8-14-20(22)23/h7,9,13,15H,3-6,8,10-12,14,16-18H2,1-2H3,(H,24,25)
InChIKeyYBHMQTHNPQNNEB-UHFFFAOYSA-N
XLogP5.43
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.55
LogP ≤ 55.43
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',N'-dimethyl-N-(1,2,3,4-tetrahydroacridin-9-yl)octane-1,8-diamine?
The IUPAC name of N',N'-dimethyl-N-(1,2,3,4-tetrahydroacridin-9-yl)octane-1,8-diamine (CID 10498282) is N',N'-dimethyl-N-(1,2,3,4-tetrahydroacridin-9-yl)octane-1,8-diamine.
What is the SMILES notation for N',N'-dimethyl-N-(1,2,3,4-tetrahydroacridin-9-yl)octane-1,8-diamine?
The canonical SMILES for N',N'-dimethyl-N-(1,2,3,4-tetrahydroacridin-9-yl)octane-1,8-diamine is CN(C)CCCCCCCCNc1c2c(nc3ccccc13)CCCC2.
What is the InChIKey of N',N'-dimethyl-N-(1,2,3,4-tetrahydroacridin-9-yl)octane-1,8-diamine?
The InChIKey is YBHMQTHNPQNNEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3/c1-26(2)18-12-6-4-3-5-11-17-24-23-19-13-7-9-15-21(19)25-22-16-10-8-14-20(22)23/h7,9,13,15H,3-6,8,10-12,14,16-18H2,1-2H3,(H,24,25).
What are the key properties of N',N'-dimethyl-N-(1,2,3,4-tetrahydroacridin-9-yl)octane-1,8-diamine?
N',N'-dimethyl-N-(1,2,3,4-tetrahydroacridin-9-yl)octane-1,8-diamine has a molecular weight of 353.55 g/mol, XLogP of 5.43, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-(1,2,3,4-tetrahydroacridin-9-yl)octane-1,8-diamine is sourced from PubChem (CID 10498282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).