(1Z,3Z)-5-(3,6-dimethyldibenzothiophen-4-yl)penta-1,3-dien-1-amine

C19H19NS — CID 144831114

IUPAC(1Z,3Z)-5-(3,6-dimethyldibenzothiophen-4-yl)penta-1,3-dien-1-amine
SMILESCc1ccc2c(sc3c(C)cccc32)c1C/C=C\C=C/N
InChIInChI=1S/C19H19NS/c1-13-10-11-17-16-9-6-7-14(2)18(16)21-19(17)15(13)8-4-3-5-12-20/h3-7,9-12H,8,20H2,1-2H3/b4-3-,12-5-
InChIKeyYFPOKKWRDBZAOP-HVSXSXIDSA-N
MW293.44 g/mol
LogP5.24
Rot. Bonds3

About (1Z,3Z)-5-(3,6-dimethyldibenzothiophen-4-yl)penta-1,3-dien-1-amine

(1Z,3Z)-5-(3,6-dimethyldibenzothiophen-4-yl)penta-1,3-dien-1-amine (PubChem CID 144831114) has the molecular formula C19H19NS and a molecular weight of 293.44 g/mol. Its IUPAC name is (1Z,3Z)-5-(3,6-dimethyldibenzothiophen-4-yl)penta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z,3Z)-5-(3,6-dimethyldibenzothiophen-4-yl)penta-1,3-dien-1-amine
PubChem CID144831114
Molecular FormulaC19H19NS
Molecular Weight293.44 g/mol
Exact Mass293.12
IUPAC Name(1Z,3Z)-5-(3,6-dimethyldibenzothiophen-4-yl)penta-1,3-dien-1-amine
SMILESCc1ccc2c(sc3c(C)cccc32)c1C/C=C\C=C/N
InChIInChI=1S/C19H19NS/c1-13-10-11-17-16-9-6-7-14(2)18(16)21-19(17)15(13)8-4-3-5-12-20/h3-7,9-12H,8,20H2,1-2H3/b4-3-,12-5-
InChIKeyYFPOKKWRDBZAOP-HVSXSXIDSA-N
XLogP5.24
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.44
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1Z,3Z)-5-(3,6-dimethyldibenzothiophen-4-yl)penta-1,3-dien-1-amine?
The IUPAC name of (1Z,3Z)-5-(3,6-dimethyldibenzothiophen-4-yl)penta-1,3-dien-1-amine (CID 144831114) is (1Z,3Z)-5-(3,6-dimethyldibenzothiophen-4-yl)penta-1,3-dien-1-amine.
What is the SMILES notation for (1Z,3Z)-5-(3,6-dimethyldibenzothiophen-4-yl)penta-1,3-dien-1-amine?
The canonical SMILES for (1Z,3Z)-5-(3,6-dimethyldibenzothiophen-4-yl)penta-1,3-dien-1-amine is Cc1ccc2c(sc3c(C)cccc32)c1C/C=C\C=C/N.
What is the InChIKey of (1Z,3Z)-5-(3,6-dimethyldibenzothiophen-4-yl)penta-1,3-dien-1-amine?
The InChIKey is YFPOKKWRDBZAOP-HVSXSXIDSA-N. The full InChI is InChI=1S/C19H19NS/c1-13-10-11-17-16-9-6-7-14(2)18(16)21-19(17)15(13)8-4-3-5-12-20/h3-7,9-12H,8,20H2,1-2H3/b4-3-,12-5-.
What are the key properties of (1Z,3Z)-5-(3,6-dimethyldibenzothiophen-4-yl)penta-1,3-dien-1-amine?
(1Z,3Z)-5-(3,6-dimethyldibenzothiophen-4-yl)penta-1,3-dien-1-amine has a molecular weight of 293.44 g/mol, XLogP of 5.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-5-(3,6-dimethyldibenzothiophen-4-yl)penta-1,3-dien-1-amine is sourced from PubChem (CID 144831114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).