N-propyl-3-(9H-thioxanthen-9-yl)propan-1-amine

C19H23NS — CID 24847012

IUPACN-propyl-3-(9H-thioxanthen-9-yl)propan-1-amine
SMILESCCCNCCCC1c2ccccc2Sc2ccccc21
InChIInChI=1S/C19H23NS/c1-2-13-20-14-7-10-15-16-8-3-5-11-18(16)21-19-12-6-4-9-17(15)19/h3-6,8-9,11-12,15,20H,2,7,10,13-14H2,1H3
InChIKeyXYAIELGXZQKJPJ-UHFFFAOYSA-N
MW297.47 g/mol
LogP5.06
Rot. Bonds6

About N-propyl-3-(9H-thioxanthen-9-yl)propan-1-amine

N-propyl-3-(9H-thioxanthen-9-yl)propan-1-amine (PubChem CID 24847012) has the molecular formula C19H23NS and a molecular weight of 297.47 g/mol. Its IUPAC name is N-propyl-3-(9H-thioxanthen-9-yl)propan-1-amine.

Molecular Properties

Compound NameN-propyl-3-(9H-thioxanthen-9-yl)propan-1-amine
PubChem CID24847012
Molecular FormulaC19H23NS
Molecular Weight297.47 g/mol
Exact Mass297.16
IUPAC NameN-propyl-3-(9H-thioxanthen-9-yl)propan-1-amine
SMILESCCCNCCCC1c2ccccc2Sc2ccccc21
InChIInChI=1S/C19H23NS/c1-2-13-20-14-7-10-15-16-8-3-5-11-18(16)21-19-12-6-4-9-17(15)19/h3-6,8-9,11-12,15,20H,2,7,10,13-14H2,1H3
InChIKeyXYAIELGXZQKJPJ-UHFFFAOYSA-N
XLogP5.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.47
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-propyl-3-(9H-thioxanthen-9-yl)propan-1-amine?
The IUPAC name of N-propyl-3-(9H-thioxanthen-9-yl)propan-1-amine (CID 24847012) is N-propyl-3-(9H-thioxanthen-9-yl)propan-1-amine.
What is the SMILES notation for N-propyl-3-(9H-thioxanthen-9-yl)propan-1-amine?
The canonical SMILES for N-propyl-3-(9H-thioxanthen-9-yl)propan-1-amine is CCCNCCCC1c2ccccc2Sc2ccccc21.
What is the InChIKey of N-propyl-3-(9H-thioxanthen-9-yl)propan-1-amine?
The InChIKey is XYAIELGXZQKJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NS/c1-2-13-20-14-7-10-15-16-8-3-5-11-18(16)21-19-12-6-4-9-17(15)19/h3-6,8-9,11-12,15,20H,2,7,10,13-14H2,1H3.
What are the key properties of N-propyl-3-(9H-thioxanthen-9-yl)propan-1-amine?
N-propyl-3-(9H-thioxanthen-9-yl)propan-1-amine has a molecular weight of 297.47 g/mol, XLogP of 5.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-3-(9H-thioxanthen-9-yl)propan-1-amine is sourced from PubChem (CID 24847012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).