(3Z,4Z)-3-ethylidene-5-fluoro-2-N,2-N,4-N,7-tetramethyl-4-N-(methylideneamino)octa-4,6-diene-2,4-diamine

C15H26FN3 — CID 134187793

IUPAC(3Z,4Z)-3-ethylidene-5-fluoro-2-N,2-N,4-N,7-tetramethyl-4-N-(methylideneamino)octa-4,6-diene-2,4-diamine
SMILESC=NN(C)C(/C(=C\C)C(C)N(C)C)=C(\F)C=C(C)C
InChIInChI=1S/C15H26FN3/c1-9-13(12(4)18(6)7)15(19(8)17-5)14(16)10-11(2)3/h9-10,12H,5H2,1-4,6-8H3/b13-9-,15-14-
InChIKeyWVBJMOUJJAPJJT-UEJBEBQQSA-N
MW267.39 g/mol
LogP3.58
Rot. Bonds6

About (3Z,4Z)-3-ethylidene-5-fluoro-2-N,2-N,4-N,7-tetramethyl-4-N-(methylideneamino)octa-4,6-diene-2,4-diamine

(3Z,4Z)-3-ethylidene-5-fluoro-2-N,2-N,4-N,7-tetramethyl-4-N-(methylideneamino)octa-4,6-diene-2,4-diamine (PubChem CID 134187793) has the molecular formula C15H26FN3 and a molecular weight of 267.39 g/mol. Its IUPAC name is (3Z,4Z)-3-ethylidene-5-fluoro-2-N,2-N,4-N,7-tetramethyl-4-N-(methylideneamino)octa-4,6-diene-2,4-diamine.

Molecular Properties

Compound Name(3Z,4Z)-3-ethylidene-5-fluoro-2-N,2-N,4-N,7-tetramethyl-4-N-(methylideneamino)octa-4,6-diene-2,4-diamine
PubChem CID134187793
Molecular FormulaC15H26FN3
Molecular Weight267.39 g/mol
Exact Mass267.21
IUPAC Name(3Z,4Z)-3-ethylidene-5-fluoro-2-N,2-N,4-N,7-tetramethyl-4-N-(methylideneamino)octa-4,6-diene-2,4-diamine
SMILESC=NN(C)C(/C(=C\C)C(C)N(C)C)=C(\F)C=C(C)C
InChIInChI=1S/C15H26FN3/c1-9-13(12(4)18(6)7)15(19(8)17-5)14(16)10-11(2)3/h9-10,12H,5H2,1-4,6-8H3/b13-9-,15-14-
InChIKeyWVBJMOUJJAPJJT-UEJBEBQQSA-N
XLogP3.58
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z,4Z)-3-ethylidene-5-fluoro-2-N,2-N,4-N,7-tetramethyl-4-N-(methylideneamino)octa-4,6-diene-2,4-diamine?
The IUPAC name of (3Z,4Z)-3-ethylidene-5-fluoro-2-N,2-N,4-N,7-tetramethyl-4-N-(methylideneamino)octa-4,6-diene-2,4-diamine (CID 134187793) is (3Z,4Z)-3-ethylidene-5-fluoro-2-N,2-N,4-N,7-tetramethyl-4-N-(methylideneamino)octa-4,6-diene-2,4-diamine.
What is the SMILES notation for (3Z,4Z)-3-ethylidene-5-fluoro-2-N,2-N,4-N,7-tetramethyl-4-N-(methylideneamino)octa-4,6-diene-2,4-diamine?
The canonical SMILES for (3Z,4Z)-3-ethylidene-5-fluoro-2-N,2-N,4-N,7-tetramethyl-4-N-(methylideneamino)octa-4,6-diene-2,4-diamine is C=NN(C)C(/C(=C\C)C(C)N(C)C)=C(\F)C=C(C)C.
What is the InChIKey of (3Z,4Z)-3-ethylidene-5-fluoro-2-N,2-N,4-N,7-tetramethyl-4-N-(methylideneamino)octa-4,6-diene-2,4-diamine?
The InChIKey is WVBJMOUJJAPJJT-UEJBEBQQSA-N. The full InChI is InChI=1S/C15H26FN3/c1-9-13(12(4)18(6)7)15(19(8)17-5)14(16)10-11(2)3/h9-10,12H,5H2,1-4,6-8H3/b13-9-,15-14-.
What are the key properties of (3Z,4Z)-3-ethylidene-5-fluoro-2-N,2-N,4-N,7-tetramethyl-4-N-(methylideneamino)octa-4,6-diene-2,4-diamine?
(3Z,4Z)-3-ethylidene-5-fluoro-2-N,2-N,4-N,7-tetramethyl-4-N-(methylideneamino)octa-4,6-diene-2,4-diamine has a molecular weight of 267.39 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,4Z)-3-ethylidene-5-fluoro-2-N,2-N,4-N,7-tetramethyl-4-N-(methylideneamino)octa-4,6-diene-2,4-diamine is sourced from PubChem (CID 134187793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).