3-acridin-9-ylsulfanyl-N,N-dimethylpropan-1-amine

C18H20N2S — CID 3015682

IUPAC3-acridin-9-ylsulfanyl-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCSc1c2ccccc2nc2ccccc12
InChIInChI=1S/C18H20N2S/c1-20(2)12-7-13-21-18-14-8-3-5-10-16(14)19-17-11-6-4-9-15(17)18/h3-6,8-11H,7,12-13H2,1-2H3
InChIKeyQHTMMEHAKNEUFA-UHFFFAOYSA-N
MW296.44 g/mol
LogP4.43
Rot. Bonds5

About 3-acridin-9-ylsulfanyl-N,N-dimethylpropan-1-amine

3-acridin-9-ylsulfanyl-N,N-dimethylpropan-1-amine (PubChem CID 3015682) has the molecular formula C18H20N2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 3-acridin-9-ylsulfanyl-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-acridin-9-ylsulfanyl-N,N-dimethylpropan-1-amine
PubChem CID3015682
Molecular FormulaC18H20N2S
Molecular Weight296.44 g/mol
Exact Mass296.13
IUPAC Name3-acridin-9-ylsulfanyl-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCSc1c2ccccc2nc2ccccc12
InChIInChI=1S/C18H20N2S/c1-20(2)12-7-13-21-18-14-8-3-5-10-16(14)19-17-11-6-4-9-15(17)18/h3-6,8-11H,7,12-13H2,1-2H3
InChIKeyQHTMMEHAKNEUFA-UHFFFAOYSA-N
XLogP4.43
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-acridin-9-ylsulfanyl-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-acridin-9-ylsulfanyl-N,N-dimethylpropan-1-amine (CID 3015682) is 3-acridin-9-ylsulfanyl-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-acridin-9-ylsulfanyl-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-acridin-9-ylsulfanyl-N,N-dimethylpropan-1-amine is CN(C)CCCSc1c2ccccc2nc2ccccc12.
What is the InChIKey of 3-acridin-9-ylsulfanyl-N,N-dimethylpropan-1-amine?
The InChIKey is QHTMMEHAKNEUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2S/c1-20(2)12-7-13-21-18-14-8-3-5-10-16(14)19-17-11-6-4-9-15(17)18/h3-6,8-11H,7,12-13H2,1-2H3.
What are the key properties of 3-acridin-9-ylsulfanyl-N,N-dimethylpropan-1-amine?
3-acridin-9-ylsulfanyl-N,N-dimethylpropan-1-amine has a molecular weight of 296.44 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acridin-9-ylsulfanyl-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 3015682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).