(6Z,8Z,10E)-N-(1-cyclohexa-1,5-dien-1-yl-3-methylbut-3-en-2-yl)-8-[[fluoro(dimethyl)-λ4-sulfanyl]methyl]-10,11,13-trimethyl-5-methylidenetetradeca-1,6,8,10,12-pentaen-2-amine

C32H48FNS — CID 166811784

IUPAC(6Z,8Z,10E)-N-(1-cyclohexa-1,5-dien-1-yl-3-methylbut-3-en-2-yl)-8-[[fluoro(dimethyl)-λ4-sulfanyl]methyl]-10,11,13-trimethyl-5-methylidenetetradeca-1,6,8,10,12-pentaen-2-amine
SMILESC=C(/C=C\C(=C\C(C)=C(/C)C=C(C)C)CS(C)(C)F)CCC(=C)NC(CC1=CCCC=C1)C(=C)C
InChIInChI=1S/C32H48FNS/c1-24(2)20-27(6)28(7)21-31(23-35(9,10)33)19-17-26(5)16-18-29(8)34-32(25(3)4)22-30-14-12-11-13-15-30/h12,14-15,17,19-21,32,34H,3,5,8,11,13,16,18,22-23H2,1-2,4,6-7,9-10H3/b19-17-,28-27+,31-21-
InChIKeyTXIFNIBJHPQMAX-XZVCBUIBSA-N
MW497.81 g/mol
LogP9.77
Rot. Bonds14

About (6Z,8Z,10E)-N-(1-cyclohexa-1,5-dien-1-yl-3-methylbut-3-en-2-yl)-8-[[fluoro(dimethyl)-λ4-sulfanyl]methyl]-10,11,13-trimethyl-5-methylidenetetradeca-1,6,8,10,12-pentaen-2-amine

(6Z,8Z,10E)-N-(1-cyclohexa-1,5-dien-1-yl-3-methylbut-3-en-2-yl)-8-[[fluoro(dimethyl)-λ4-sulfanyl]methyl]-10,11,13-trimethyl-5-methylidenetetradeca-1,6,8,10,12-pentaen-2-amine (PubChem CID 166811784) has the molecular formula C32H48FNS and a molecular weight of 497.81 g/mol. Its IUPAC name is (6Z,8Z,10E)-N-(1-cyclohexa-1,5-dien-1-yl-3-methylbut-3-en-2-yl)-8-[[fluoro(dimethyl)-λ4-sulfanyl]methyl]-10,11,13-trimethyl-5-methylidenetetradeca-1,6,8,10,12-pentaen-2-amine.

Molecular Properties

Compound Name(6Z,8Z,10E)-N-(1-cyclohexa-1,5-dien-1-yl-3-methylbut-3-en-2-yl)-8-[[fluoro(dimethyl)-λ4-sulfanyl]methyl]-10,11,13-trimethyl-5-methylidenetetradeca-1,6,8,10,12-pentaen-2-amine
PubChem CID166811784
Molecular FormulaC32H48FNS
Molecular Weight497.81 g/mol
Exact Mass497.35
IUPAC Name(6Z,8Z,10E)-N-(1-cyclohexa-1,5-dien-1-yl-3-methylbut-3-en-2-yl)-8-[[fluoro(dimethyl)-λ4-sulfanyl]methyl]-10,11,13-trimethyl-5-methylidenetetradeca-1,6,8,10,12-pentaen-2-amine
SMILESC=C(/C=C\C(=C\C(C)=C(/C)C=C(C)C)CS(C)(C)F)CCC(=C)NC(CC1=CCCC=C1)C(=C)C
InChIInChI=1S/C32H48FNS/c1-24(2)20-27(6)28(7)21-31(23-35(9,10)33)19-17-26(5)16-18-29(8)34-32(25(3)4)22-30-14-12-11-13-15-30/h12,14-15,17,19-21,32,34H,3,5,8,11,13,16,18,22-23H2,1-2,4,6-7,9-10H3/b19-17-,28-27+,31-21-
InChIKeyTXIFNIBJHPQMAX-XZVCBUIBSA-N
XLogP9.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.81
LogP ≤ 59.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (6Z,8Z,10E)-N-(1-cyclohexa-1,5-dien-1-yl-3-methylbut-3-en-2-yl)-8-[[fluoro(dimethyl)-λ4-sulfanyl]methyl]-10,11,13-trimethyl-5-methylidenetetradeca-1,6,8,10,12-pentaen-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6Z,8Z,10E)-N-(1-cyclohexa-1,5-dien-1-yl-3-methylbut-3-en-2-yl)-8-[[fluoro(dimethyl)-λ4-sulfanyl]methyl]-10,11,13-trimethyl-5-methylidenetetradeca-1,6,8,10,12-pentaen-2-amine?
The IUPAC name of (6Z,8Z,10E)-N-(1-cyclohexa-1,5-dien-1-yl-3-methylbut-3-en-2-yl)-8-[[fluoro(dimethyl)-λ4-sulfanyl]methyl]-10,11,13-trimethyl-5-methylidenetetradeca-1,6,8,10,12-pentaen-2-amine (CID 166811784) is (6Z,8Z,10E)-N-(1-cyclohexa-1,5-dien-1-yl-3-methylbut-3-en-2-yl)-8-[[fluoro(dimethyl)-λ4-sulfanyl]methyl]-10,11,13-trimethyl-5-methylidenetetradeca-1,6,8,10,12-pentaen-2-amine.
What is the SMILES notation for (6Z,8Z,10E)-N-(1-cyclohexa-1,5-dien-1-yl-3-methylbut-3-en-2-yl)-8-[[fluoro(dimethyl)-λ4-sulfanyl]methyl]-10,11,13-trimethyl-5-methylidenetetradeca-1,6,8,10,12-pentaen-2-amine?
The canonical SMILES for (6Z,8Z,10E)-N-(1-cyclohexa-1,5-dien-1-yl-3-methylbut-3-en-2-yl)-8-[[fluoro(dimethyl)-λ4-sulfanyl]methyl]-10,11,13-trimethyl-5-methylidenetetradeca-1,6,8,10,12-pentaen-2-amine is C=C(/C=C\C(=C\C(C)=C(/C)C=C(C)C)CS(C)(C)F)CCC(=C)NC(CC1=CCCC=C1)C(=C)C.
What is the InChIKey of (6Z,8Z,10E)-N-(1-cyclohexa-1,5-dien-1-yl-3-methylbut-3-en-2-yl)-8-[[fluoro(dimethyl)-λ4-sulfanyl]methyl]-10,11,13-trimethyl-5-methylidenetetradeca-1,6,8,10,12-pentaen-2-amine?
The InChIKey is TXIFNIBJHPQMAX-XZVCBUIBSA-N. The full InChI is InChI=1S/C32H48FNS/c1-24(2)20-27(6)28(7)21-31(23-35(9,10)33)19-17-26(5)16-18-29(8)34-32(25(3)4)22-30-14-12-11-13-15-30/h12,14-15,17,19-21,32,34H,3,5,8,11,13,16,18,22-23H2,1-2,4,6-7,9-10H3/b19-17-,28-27+,31-21-.
What are the key properties of (6Z,8Z,10E)-N-(1-cyclohexa-1,5-dien-1-yl-3-methylbut-3-en-2-yl)-8-[[fluoro(dimethyl)-λ4-sulfanyl]methyl]-10,11,13-trimethyl-5-methylidenetetradeca-1,6,8,10,12-pentaen-2-amine?
(6Z,8Z,10E)-N-(1-cyclohexa-1,5-dien-1-yl-3-methylbut-3-en-2-yl)-8-[[fluoro(dimethyl)-λ4-sulfanyl]methyl]-10,11,13-trimethyl-5-methylidenetetradeca-1,6,8,10,12-pentaen-2-amine has a molecular weight of 497.81 g/mol, XLogP of 9.77, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,8Z,10E)-N-(1-cyclohexa-1,5-dien-1-yl-3-methylbut-3-en-2-yl)-8-[[fluoro(dimethyl)-λ4-sulfanyl]methyl]-10,11,13-trimethyl-5-methylidenetetradeca-1,6,8,10,12-pentaen-2-amine is sourced from PubChem (CID 166811784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).