(3E)-N-[(E)-[(E)-2-ethenyl-3-fluorohex-4-enylidene]amino]-N-methyl-4-(methylideneamino)penta-1,3-dien-3-amine

C15H22FN3 — CID 155358527

IUPAC(3E)-N-[(E)-[(E)-2-ethenyl-3-fluorohex-4-enylidene]amino]-N-methyl-4-(methylideneamino)penta-1,3-dien-3-amine
SMILESC=C/C(=C(/C)N=C)N(C)/N=C/C(C=C)C(F)/C=C/C
InChIInChI=1S/C15H22FN3/c1-7-10-14(16)13(8-2)11-18-19(6)15(9-3)12(4)17-5/h7-11,13-14H,2-3,5H2,1,4,6H3/b10-7+,15-12+,18-11+
InChIKeyAEANMJLOOQIVPK-VMLOLAMCSA-N
MW263.36 g/mol
LogP3.74
Rot. Bonds8

About (3E)-N-[(E)-[(E)-2-ethenyl-3-fluorohex-4-enylidene]amino]-N-methyl-4-(methylideneamino)penta-1,3-dien-3-amine

(3E)-N-[(E)-[(E)-2-ethenyl-3-fluorohex-4-enylidene]amino]-N-methyl-4-(methylideneamino)penta-1,3-dien-3-amine (PubChem CID 155358527) has the molecular formula C15H22FN3 and a molecular weight of 263.36 g/mol. Its IUPAC name is (3E)-N-[(E)-[(E)-2-ethenyl-3-fluorohex-4-enylidene]amino]-N-methyl-4-(methylideneamino)penta-1,3-dien-3-amine.

Molecular Properties

Compound Name(3E)-N-[(E)-[(E)-2-ethenyl-3-fluorohex-4-enylidene]amino]-N-methyl-4-(methylideneamino)penta-1,3-dien-3-amine
PubChem CID155358527
Molecular FormulaC15H22FN3
Molecular Weight263.36 g/mol
Exact Mass263.18
IUPAC Name(3E)-N-[(E)-[(E)-2-ethenyl-3-fluorohex-4-enylidene]amino]-N-methyl-4-(methylideneamino)penta-1,3-dien-3-amine
SMILESC=C/C(=C(/C)N=C)N(C)/N=C/C(C=C)C(F)/C=C/C
InChIInChI=1S/C15H22FN3/c1-7-10-14(16)13(8-2)11-18-19(6)15(9-3)12(4)17-5/h7-11,13-14H,2-3,5H2,1,4,6H3/b10-7+,15-12+,18-11+
InChIKeyAEANMJLOOQIVPK-VMLOLAMCSA-N
XLogP3.74
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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 (3E)-N-[(E)-[(E)-2-ethenyl-3-fluorohex-4-enylidene]amino]-N-methyl-4-(methylideneamino)penta-1,3-dien-3-amine?
The IUPAC name of (3E)-N-[(E)-[(E)-2-ethenyl-3-fluorohex-4-enylidene]amino]-N-methyl-4-(methylideneamino)penta-1,3-dien-3-amine (CID 155358527) is (3E)-N-[(E)-[(E)-2-ethenyl-3-fluorohex-4-enylidene]amino]-N-methyl-4-(methylideneamino)penta-1,3-dien-3-amine.
What is the SMILES notation for (3E)-N-[(E)-[(E)-2-ethenyl-3-fluorohex-4-enylidene]amino]-N-methyl-4-(methylideneamino)penta-1,3-dien-3-amine?
The canonical SMILES for (3E)-N-[(E)-[(E)-2-ethenyl-3-fluorohex-4-enylidene]amino]-N-methyl-4-(methylideneamino)penta-1,3-dien-3-amine is C=C/C(=C(/C)N=C)N(C)/N=C/C(C=C)C(F)/C=C/C.
What is the InChIKey of (3E)-N-[(E)-[(E)-2-ethenyl-3-fluorohex-4-enylidene]amino]-N-methyl-4-(methylideneamino)penta-1,3-dien-3-amine?
The InChIKey is AEANMJLOOQIVPK-VMLOLAMCSA-N. The full InChI is InChI=1S/C15H22FN3/c1-7-10-14(16)13(8-2)11-18-19(6)15(9-3)12(4)17-5/h7-11,13-14H,2-3,5H2,1,4,6H3/b10-7+,15-12+,18-11+.
What are the key properties of (3E)-N-[(E)-[(E)-2-ethenyl-3-fluorohex-4-enylidene]amino]-N-methyl-4-(methylideneamino)penta-1,3-dien-3-amine?
(3E)-N-[(E)-[(E)-2-ethenyl-3-fluorohex-4-enylidene]amino]-N-methyl-4-(methylideneamino)penta-1,3-dien-3-amine has a molecular weight of 263.36 g/mol, XLogP of 3.74, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-N-[(E)-[(E)-2-ethenyl-3-fluorohex-4-enylidene]amino]-N-methyl-4-(methylideneamino)penta-1,3-dien-3-amine is sourced from PubChem (CID 155358527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).