(3Z,7E,11Z)-8-fluoro-13-methyl-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaen-2-amine

C19H22FN — CID 144644205

IUPAC(3Z,7E,11Z)-8-fluoro-13-methyl-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaen-2-amine
SMILESC=C(C)/C=C\C(=C)C(=C)/C(F)=C\C(=C)C(=C)/C=C\C(=C)N
InChIInChI=1S/C19H22FN/c1-13(2)8-9-15(4)18(7)19(20)12-16(5)14(3)10-11-17(6)21/h8-12H,1,3-7,21H2,2H3/b9-8-,11-10-,19-12+
InChIKeyDPRIXCSZLPWFSQ-SEAVJUGLSA-N
MW283.39 g/mol
LogP5.23
Rot. Bonds8

About (3Z,7E,11Z)-8-fluoro-13-methyl-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaen-2-amine

(3Z,7E,11Z)-8-fluoro-13-methyl-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaen-2-amine (PubChem CID 144644205) has the molecular formula C19H22FN and a molecular weight of 283.39 g/mol. Its IUPAC name is (3Z,7E,11Z)-8-fluoro-13-methyl-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaen-2-amine.

Molecular Properties

Compound Name(3Z,7E,11Z)-8-fluoro-13-methyl-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaen-2-amine
PubChem CID144644205
Molecular FormulaC19H22FN
Molecular Weight283.39 g/mol
Exact Mass283.17
IUPAC Name(3Z,7E,11Z)-8-fluoro-13-methyl-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaen-2-amine
SMILESC=C(C)/C=C\C(=C)C(=C)/C(F)=C\C(=C)C(=C)/C=C\C(=C)N
InChIInChI=1S/C19H22FN/c1-13(2)8-9-15(4)18(7)19(20)12-16(5)14(3)10-11-17(6)21/h8-12H,1,3-7,21H2,2H3/b9-8-,11-10-,19-12+
InChIKeyDPRIXCSZLPWFSQ-SEAVJUGLSA-N
XLogP5.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.39
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z,7E,11Z)-8-fluoro-13-methyl-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaen-2-amine?
The IUPAC name of (3Z,7E,11Z)-8-fluoro-13-methyl-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaen-2-amine (CID 144644205) is (3Z,7E,11Z)-8-fluoro-13-methyl-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaen-2-amine.
What is the SMILES notation for (3Z,7E,11Z)-8-fluoro-13-methyl-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaen-2-amine?
The canonical SMILES for (3Z,7E,11Z)-8-fluoro-13-methyl-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaen-2-amine is C=C(C)/C=C\C(=C)C(=C)/C(F)=C\C(=C)C(=C)/C=C\C(=C)N.
What is the InChIKey of (3Z,7E,11Z)-8-fluoro-13-methyl-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaen-2-amine?
The InChIKey is DPRIXCSZLPWFSQ-SEAVJUGLSA-N. The full InChI is InChI=1S/C19H22FN/c1-13(2)8-9-15(4)18(7)19(20)12-16(5)14(3)10-11-17(6)21/h8-12H,1,3-7,21H2,2H3/b9-8-,11-10-,19-12+.
What are the key properties of (3Z,7E,11Z)-8-fluoro-13-methyl-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaen-2-amine?
(3Z,7E,11Z)-8-fluoro-13-methyl-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaen-2-amine has a molecular weight of 283.39 g/mol, XLogP of 5.23, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,7E,11Z)-8-fluoro-13-methyl-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaen-2-amine is sourced from PubChem (CID 144644205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).