(4Z,5Z,9Z,11Z)-4-ethylidene-N-[(3-fluorophenyl)methyl]-N-methyl-8-methylidenetrideca-1,5,9,11-tetraen-2-amine

C24H30FN — CID 130226200

IUPAC(4Z,5Z,9Z,11Z)-4-ethylidene-N-[(3-fluorophenyl)methyl]-N-methyl-8-methylidenetrideca-1,5,9,11-tetraen-2-amine
SMILESC=C(/C=C\C=C/C)C/C=C\C(=C/C)CC(=C)N(C)Cc1cccc(F)c1
InChIInChI=1S/C24H30FN/c1-6-8-9-12-20(3)13-10-14-22(7-2)17-21(4)26(5)19-23-15-11-16-24(25)18-23/h6-12,14-16,18H,3-4,13,17,19H2,1-2,5H3/b8-6-,12-9-,14-10-,22-7+
InChIKeyDBLHAPZTEWFJHX-FJMNIQJDSA-N
MW351.51 g/mol
LogP6.74
Rot. Bonds10

About (4Z,5Z,9Z,11Z)-4-ethylidene-N-[(3-fluorophenyl)methyl]-N-methyl-8-methylidenetrideca-1,5,9,11-tetraen-2-amine

(4Z,5Z,9Z,11Z)-4-ethylidene-N-[(3-fluorophenyl)methyl]-N-methyl-8-methylidenetrideca-1,5,9,11-tetraen-2-amine (PubChem CID 130226200) has the molecular formula C24H30FN and a molecular weight of 351.51 g/mol. Its IUPAC name is (4Z,5Z,9Z,11Z)-4-ethylidene-N-[(3-fluorophenyl)methyl]-N-methyl-8-methylidenetrideca-1,5,9,11-tetraen-2-amine.

Molecular Properties

Compound Name(4Z,5Z,9Z,11Z)-4-ethylidene-N-[(3-fluorophenyl)methyl]-N-methyl-8-methylidenetrideca-1,5,9,11-tetraen-2-amine
PubChem CID130226200
Molecular FormulaC24H30FN
Molecular Weight351.51 g/mol
Exact Mass351.24
IUPAC Name(4Z,5Z,9Z,11Z)-4-ethylidene-N-[(3-fluorophenyl)methyl]-N-methyl-8-methylidenetrideca-1,5,9,11-tetraen-2-amine
SMILESC=C(/C=C\C=C/C)C/C=C\C(=C/C)CC(=C)N(C)Cc1cccc(F)c1
InChIInChI=1S/C24H30FN/c1-6-8-9-12-20(3)13-10-14-22(7-2)17-21(4)26(5)19-23-15-11-16-24(25)18-23/h6-12,14-16,18H,3-4,13,17,19H2,1-2,5H3/b8-6-,12-9-,14-10-,22-7+
InChIKeyDBLHAPZTEWFJHX-FJMNIQJDSA-N
XLogP6.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.51
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[(3-fluorophenyl)methyl]-1,2-dimethyl-3-prop-2-enylguanidine
CID 111285531
3-ethyl-1-[(3-fluorophenyl)methyl]-1-methyl-2-prop-2-enylguanidine
CID 111285057
2-amino-2-ethyl-N-[(3-fluorophenyl)methyl]-N-methylbutanamide
CID 79810018
3-amino-2-ethyl-1-[(3-fluorophenyl)methyl]-1-methylguanidine
CID 116513040
3-ethyl-1-[(3-fluorophenyl)methyl]-1-methyl-2-prop-2-enylguanidine;hydroiodide
CID 111285056
3-[(3-fluorophenyl)methyl-methylamino]prop-2-enoic acid
CID 79889362
5-chloro-N-[(3-fluorophenyl)methyl]-N-methylpentanamide
CID 28971589
2-[ethyl(methyl)amino]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 60516816
2,2-difluoro-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 103600519
N-[(3-fluorophenyl)methyl]-3,5-dihydroxy-N-methylbenzamide
CID 103891567
3-amino-N-[(3-fluorophenyl)methyl]-N-methyl-3-sulfanylidenepropanamide
CID 28942552
3-[(3-fluorophenyl)methyl-methylamino]-2-(methylamino)-3-oxopropanoic acid
CID 115189481

Frequently Asked Questions

What is the IUPAC name of (4Z,5Z,9Z,11Z)-4-ethylidene-N-[(3-fluorophenyl)methyl]-N-methyl-8-methylidenetrideca-1,5,9,11-tetraen-2-amine?
The IUPAC name of (4Z,5Z,9Z,11Z)-4-ethylidene-N-[(3-fluorophenyl)methyl]-N-methyl-8-methylidenetrideca-1,5,9,11-tetraen-2-amine (CID 130226200) is (4Z,5Z,9Z,11Z)-4-ethylidene-N-[(3-fluorophenyl)methyl]-N-methyl-8-methylidenetrideca-1,5,9,11-tetraen-2-amine.
What is the SMILES notation for (4Z,5Z,9Z,11Z)-4-ethylidene-N-[(3-fluorophenyl)methyl]-N-methyl-8-methylidenetrideca-1,5,9,11-tetraen-2-amine?
The canonical SMILES for (4Z,5Z,9Z,11Z)-4-ethylidene-N-[(3-fluorophenyl)methyl]-N-methyl-8-methylidenetrideca-1,5,9,11-tetraen-2-amine is C=C(/C=C\C=C/C)C/C=C\C(=C/C)CC(=C)N(C)Cc1cccc(F)c1.
What is the InChIKey of (4Z,5Z,9Z,11Z)-4-ethylidene-N-[(3-fluorophenyl)methyl]-N-methyl-8-methylidenetrideca-1,5,9,11-tetraen-2-amine?
The InChIKey is DBLHAPZTEWFJHX-FJMNIQJDSA-N. The full InChI is InChI=1S/C24H30FN/c1-6-8-9-12-20(3)13-10-14-22(7-2)17-21(4)26(5)19-23-15-11-16-24(25)18-23/h6-12,14-16,18H,3-4,13,17,19H2,1-2,5H3/b8-6-,12-9-,14-10-,22-7+.
What are the key properties of (4Z,5Z,9Z,11Z)-4-ethylidene-N-[(3-fluorophenyl)methyl]-N-methyl-8-methylidenetrideca-1,5,9,11-tetraen-2-amine?
(4Z,5Z,9Z,11Z)-4-ethylidene-N-[(3-fluorophenyl)methyl]-N-methyl-8-methylidenetrideca-1,5,9,11-tetraen-2-amine has a molecular weight of 351.51 g/mol, XLogP of 6.74, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,5Z,9Z,11Z)-4-ethylidene-N-[(3-fluorophenyl)methyl]-N-methyl-8-methylidenetrideca-1,5,9,11-tetraen-2-amine is sourced from PubChem (CID 130226200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).