N-acridin-9-yl-N',N'-dimethylpropane-1,3-diamine

C18H21N3 — CID 14169

IUPACN-acridin-9-yl-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCNc1c2ccccc2nc2ccccc12
InChIInChI=1S/C18H21N3/c1-21(2)13-7-12-19-18-14-8-3-5-10-16(14)20-17-11-6-4-9-15(17)18/h3-6,8-11H,7,12-13H2,1-2H3,(H,19,20)
InChIKeyVJGUBCUGFXDMEX-UHFFFAOYSA-N
MW279.39 g/mol
LogP3.75
Rot. Bonds5

About N-acridin-9-yl-N',N'-dimethylpropane-1,3-diamine

N-acridin-9-yl-N',N'-dimethylpropane-1,3-diamine (PubChem CID 14169) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is N-acridin-9-yl-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-acridin-9-yl-N',N'-dimethylpropane-1,3-diamine
PubChem CID14169
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC NameN-acridin-9-yl-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCNc1c2ccccc2nc2ccccc12
InChIInChI=1S/C18H21N3/c1-21(2)13-7-12-19-18-14-8-3-5-10-16(14)20-17-11-6-4-9-15(17)18/h3-6,8-11H,7,12-13H2,1-2H3,(H,19,20)
InChIKeyVJGUBCUGFXDMEX-UHFFFAOYSA-N
XLogP3.75
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amino_acridine_A(46)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

Tacrine
CID 1935
Dequalinium Chloride
CID 10649
Proflavine
CID 7099
Acridine
CID 9215
Pyrvinium
CID 5281035
Acridine Orange Base
CID 62344
Acriflavine
CID 443101
Dequalinium
CID 2993
Tacrine Hydrochloride
CID 2723754
9-Aminoacridine
CID 7019
Ethidium Bromide
CID 14710
9-Aminoacridine hydrochloride
CID 8643

Frequently Asked Questions

What is the IUPAC name of N-acridin-9-yl-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-acridin-9-yl-N',N'-dimethylpropane-1,3-diamine (CID 14169) is N-acridin-9-yl-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-acridin-9-yl-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-acridin-9-yl-N',N'-dimethylpropane-1,3-diamine is CN(C)CCCNc1c2ccccc2nc2ccccc12.
What is the InChIKey of N-acridin-9-yl-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is VJGUBCUGFXDMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3/c1-21(2)13-7-12-19-18-14-8-3-5-10-16(14)20-17-11-6-4-9-15(17)18/h3-6,8-11H,7,12-13H2,1-2H3,(H,19,20).
What are the key properties of N-acridin-9-yl-N',N'-dimethylpropane-1,3-diamine?
N-acridin-9-yl-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 279.39 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-acridin-9-yl-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 14169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).