(2E,4Z,9Z,11Z)-2-ethenyl-5-(fluoromethyl)-4,8,13-trimethyl-6-methylideneheptadeca-2,4,9,11,16-pentaen-1-amine

C24H36FN — CID 129267288

IUPAC(2E,4Z,9Z,11Z)-2-ethenyl-5-(fluoromethyl)-4,8,13-trimethyl-6-methylideneheptadeca-2,4,9,11,16-pentaen-1-amine
SMILESC=CCCC(C)/C=C\C=C/C(C)CC(=C)/C(CF)=C(C)/C=C(\C=C)CN
InChIInChI=1S/C24H36FN/c1-7-9-12-19(3)13-10-11-14-20(4)15-21(5)24(17-25)22(6)16-23(8-2)18-26/h7-8,10-11,13-14,16,19-20H,1-2,5,9,12,15,17-18,26H2,3-4,6H3/b13-10-,14-11-,23-16+,24-22+
InChIKeyXNGNIEXPWVVFFV-SWJCOZNDSA-N
MW357.56 g/mol
LogP6.64
Rot. Bonds13

About (2E,4Z,9Z,11Z)-2-ethenyl-5-(fluoromethyl)-4,8,13-trimethyl-6-methylideneheptadeca-2,4,9,11,16-pentaen-1-amine

(2E,4Z,9Z,11Z)-2-ethenyl-5-(fluoromethyl)-4,8,13-trimethyl-6-methylideneheptadeca-2,4,9,11,16-pentaen-1-amine (PubChem CID 129267288) has the molecular formula C24H36FN and a molecular weight of 357.56 g/mol. Its IUPAC name is (2E,4Z,9Z,11Z)-2-ethenyl-5-(fluoromethyl)-4,8,13-trimethyl-6-methylideneheptadeca-2,4,9,11,16-pentaen-1-amine.

Molecular Properties

Compound Name(2E,4Z,9Z,11Z)-2-ethenyl-5-(fluoromethyl)-4,8,13-trimethyl-6-methylideneheptadeca-2,4,9,11,16-pentaen-1-amine
PubChem CID129267288
Molecular FormulaC24H36FN
Molecular Weight357.56 g/mol
Exact Mass357.28
IUPAC Name(2E,4Z,9Z,11Z)-2-ethenyl-5-(fluoromethyl)-4,8,13-trimethyl-6-methylideneheptadeca-2,4,9,11,16-pentaen-1-amine
SMILESC=CCCC(C)/C=C\C=C/C(C)CC(=C)/C(CF)=C(C)/C=C(\C=C)CN
InChIInChI=1S/C24H36FN/c1-7-9-12-19(3)13-10-11-14-20(4)15-21(5)24(17-25)22(6)16-23(8-2)18-26/h7-8,10-11,13-14,16,19-20H,1-2,5,9,12,15,17-18,26H2,3-4,6H3/b13-10-,14-11-,23-16+,24-22+
InChIKeyXNGNIEXPWVVFFV-SWJCOZNDSA-N
XLogP6.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.56
LogP ≤ 56.64
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 (2E,4Z,9Z,11Z)-2-ethenyl-5-(fluoromethyl)-4,8,13-trimethyl-6-methylideneheptadeca-2,4,9,11,16-pentaen-1-amine with MolForge

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Launch Full Analysis

Related Compounds

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CID 91099450
2-Ethenyl-4-(2-fluoroethyl)-5-methylhexa-2,5-dien-1-amine
CID 123558340
[(6E)-3-fluoro-4-methyl-2-propan-2-yl-6-propylidenecyclohexa-1,3-dien-1-yl]methanamine
CID 129108563
(5E,7Z,9Z)-7-[3-fluoro-2-(fluoromethyl)propyl]-2-methylundeca-1,5,7,9-tetraen-4-amine
CID 130286458
(Z)-3-ethenyl-7-fluoro-4-methylhept-2-en-1-amine
CID 130314599
(1Z,3Z)-7-fluoro-2,5-dimethylocta-1,3-dien-1-amine
CID 130384137
[4-[(E)-hept-3-enyl]-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methanamine
CID 131981650
[(6S)-6-fluoro-5-methylcyclohexa-1,3-dien-1-yl]methanamine
CID 139317184
(2E,4E,8E)-2-methyl-5-methylidene-4-[(E)-pent-2-enylidene]-8-(trifluoromethyl)deca-2,8-dien-1-amine
CID 139506706
(2Z,4E)-3-but-1-en-2-yl-2,4-diethyl-7-fluoro-6-methylideneocta-2,4-dien-1-amine
CID 156726640
(1Z,4Z,6E)-7-fluoro-2-methyl-4-propan-2-ylocta-1,4,6-trien-1-amine
CID 163942183
(Z)-2-ethenyl-4-[(Z)-2-fluoroethenyl]hept-4-en-1-amine
CID 164159067

Frequently Asked Questions

What is the IUPAC name of (2E,4Z,9Z,11Z)-2-ethenyl-5-(fluoromethyl)-4,8,13-trimethyl-6-methylideneheptadeca-2,4,9,11,16-pentaen-1-amine?
The IUPAC name of (2E,4Z,9Z,11Z)-2-ethenyl-5-(fluoromethyl)-4,8,13-trimethyl-6-methylideneheptadeca-2,4,9,11,16-pentaen-1-amine (CID 129267288) is (2E,4Z,9Z,11Z)-2-ethenyl-5-(fluoromethyl)-4,8,13-trimethyl-6-methylideneheptadeca-2,4,9,11,16-pentaen-1-amine.
What is the SMILES notation for (2E,4Z,9Z,11Z)-2-ethenyl-5-(fluoromethyl)-4,8,13-trimethyl-6-methylideneheptadeca-2,4,9,11,16-pentaen-1-amine?
The canonical SMILES for (2E,4Z,9Z,11Z)-2-ethenyl-5-(fluoromethyl)-4,8,13-trimethyl-6-methylideneheptadeca-2,4,9,11,16-pentaen-1-amine is C=CCCC(C)/C=C\C=C/C(C)CC(=C)/C(CF)=C(C)/C=C(\C=C)CN.
What is the InChIKey of (2E,4Z,9Z,11Z)-2-ethenyl-5-(fluoromethyl)-4,8,13-trimethyl-6-methylideneheptadeca-2,4,9,11,16-pentaen-1-amine?
The InChIKey is XNGNIEXPWVVFFV-SWJCOZNDSA-N. The full InChI is InChI=1S/C24H36FN/c1-7-9-12-19(3)13-10-11-14-20(4)15-21(5)24(17-25)22(6)16-23(8-2)18-26/h7-8,10-11,13-14,16,19-20H,1-2,5,9,12,15,17-18,26H2,3-4,6H3/b13-10-,14-11-,23-16+,24-22+.
What are the key properties of (2E,4Z,9Z,11Z)-2-ethenyl-5-(fluoromethyl)-4,8,13-trimethyl-6-methylideneheptadeca-2,4,9,11,16-pentaen-1-amine?
(2E,4Z,9Z,11Z)-2-ethenyl-5-(fluoromethyl)-4,8,13-trimethyl-6-methylideneheptadeca-2,4,9,11,16-pentaen-1-amine has a molecular weight of 357.56 g/mol, XLogP of 6.64, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z,9Z,11Z)-2-ethenyl-5-(fluoromethyl)-4,8,13-trimethyl-6-methylideneheptadeca-2,4,9,11,16-pentaen-1-amine is sourced from PubChem (CID 129267288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).