(4R,6Z,8E)-6-ethyl-8-fluoro-4-methyl-N-[(4Z,6Z)-6-methyl-3-methylideneocta-4,6-dien-2-yl]undeca-1,6,8,10-tetraen-2-amine

C24H36FN — CID 88997990

IUPAC(4R,6Z,8E)-6-ethyl-8-fluoro-4-methyl-N-[(4Z,6Z)-6-methyl-3-methylideneocta-4,6-dien-2-yl]undeca-1,6,8,10-tetraen-2-amine
SMILESC=C/C=C(F)\C=C(\CC)C[C@@H](C)CC(=C)NC(C)C(=C)/C=C\C(C)=C/C
InChIInChI=1S/C24H36FN/c1-9-12-24(25)17-23(11-3)16-19(5)15-21(7)26-22(8)20(6)14-13-18(4)10-2/h9-10,12-14,17,19,22,26H,1,6-7,11,15-16H2,2-5,8H3/b14-13-,18-10-,23-17-,24-12+/t19-,22?/m0/s1
InChIKeyIWBGVAHUVQIIRD-UMQQUDSHSA-N
MW357.56 g/mol
LogP7.35
Rot. Bonds12

About (4R,6Z,8E)-6-ethyl-8-fluoro-4-methyl-N-[(4Z,6Z)-6-methyl-3-methylideneocta-4,6-dien-2-yl]undeca-1,6,8,10-tetraen-2-amine

(4R,6Z,8E)-6-ethyl-8-fluoro-4-methyl-N-[(4Z,6Z)-6-methyl-3-methylideneocta-4,6-dien-2-yl]undeca-1,6,8,10-tetraen-2-amine (PubChem CID 88997990) has the molecular formula C24H36FN and a molecular weight of 357.56 g/mol. Its IUPAC name is (4R,6Z,8E)-6-ethyl-8-fluoro-4-methyl-N-[(4Z,6Z)-6-methyl-3-methylideneocta-4,6-dien-2-yl]undeca-1,6,8,10-tetraen-2-amine.

Molecular Properties

Compound Name(4R,6Z,8E)-6-ethyl-8-fluoro-4-methyl-N-[(4Z,6Z)-6-methyl-3-methylideneocta-4,6-dien-2-yl]undeca-1,6,8,10-tetraen-2-amine
PubChem CID88997990
Molecular FormulaC24H36FN
Molecular Weight357.56 g/mol
Exact Mass357.28
IUPAC Name(4R,6Z,8E)-6-ethyl-8-fluoro-4-methyl-N-[(4Z,6Z)-6-methyl-3-methylideneocta-4,6-dien-2-yl]undeca-1,6,8,10-tetraen-2-amine
SMILESC=C/C=C(F)\C=C(\CC)C[C@@H](C)CC(=C)NC(C)C(=C)/C=C\C(C)=C/C
InChIInChI=1S/C24H36FN/c1-9-12-24(25)17-23(11-3)16-19(5)15-21(7)26-22(8)20(6)14-13-18(4)10-2/h9-10,12-14,17,19,22,26H,1,6-7,11,15-16H2,2-5,8H3/b14-13-,18-10-,23-17-,24-12+/t19-,22?/m0/s1
InChIKeyIWBGVAHUVQIIRD-UMQQUDSHSA-N
XLogP7.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.56
LogP ≤ 57.35
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 (4R,6Z,8E)-6-ethyl-8-fluoro-4-methyl-N-[(4Z,6Z)-6-methyl-3-methylideneocta-4,6-dien-2-yl]undeca-1,6,8,10-tetraen-2-amine?
The IUPAC name of (4R,6Z,8E)-6-ethyl-8-fluoro-4-methyl-N-[(4Z,6Z)-6-methyl-3-methylideneocta-4,6-dien-2-yl]undeca-1,6,8,10-tetraen-2-amine (CID 88997990) is (4R,6Z,8E)-6-ethyl-8-fluoro-4-methyl-N-[(4Z,6Z)-6-methyl-3-methylideneocta-4,6-dien-2-yl]undeca-1,6,8,10-tetraen-2-amine.
What is the SMILES notation for (4R,6Z,8E)-6-ethyl-8-fluoro-4-methyl-N-[(4Z,6Z)-6-methyl-3-methylideneocta-4,6-dien-2-yl]undeca-1,6,8,10-tetraen-2-amine?
The canonical SMILES for (4R,6Z,8E)-6-ethyl-8-fluoro-4-methyl-N-[(4Z,6Z)-6-methyl-3-methylideneocta-4,6-dien-2-yl]undeca-1,6,8,10-tetraen-2-amine is C=C/C=C(F)\C=C(\CC)C[C@@H](C)CC(=C)NC(C)C(=C)/C=C\C(C)=C/C.
What is the InChIKey of (4R,6Z,8E)-6-ethyl-8-fluoro-4-methyl-N-[(4Z,6Z)-6-methyl-3-methylideneocta-4,6-dien-2-yl]undeca-1,6,8,10-tetraen-2-amine?
The InChIKey is IWBGVAHUVQIIRD-UMQQUDSHSA-N. The full InChI is InChI=1S/C24H36FN/c1-9-12-24(25)17-23(11-3)16-19(5)15-21(7)26-22(8)20(6)14-13-18(4)10-2/h9-10,12-14,17,19,22,26H,1,6-7,11,15-16H2,2-5,8H3/b14-13-,18-10-,23-17-,24-12+/t19-,22?/m0/s1.
What are the key properties of (4R,6Z,8E)-6-ethyl-8-fluoro-4-methyl-N-[(4Z,6Z)-6-methyl-3-methylideneocta-4,6-dien-2-yl]undeca-1,6,8,10-tetraen-2-amine?
(4R,6Z,8E)-6-ethyl-8-fluoro-4-methyl-N-[(4Z,6Z)-6-methyl-3-methylideneocta-4,6-dien-2-yl]undeca-1,6,8,10-tetraen-2-amine has a molecular weight of 357.56 g/mol, XLogP of 7.35, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6Z,8E)-6-ethyl-8-fluoro-4-methyl-N-[(4Z,6Z)-6-methyl-3-methylideneocta-4,6-dien-2-yl]undeca-1,6,8,10-tetraen-2-amine is sourced from PubChem (CID 88997990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).