(2E,4E)-4-bromo-N-ethenyl-N'-[(2E,3Z)-2-ethylidene-5-methylhexa-3,5-dienyl]-2-prop-1-en-2-ylhexa-2,4-dienimidamide

C20H27BrN2 — CID 155364844

IUPAC(2E,4E)-4-bromo-N-ethenyl-N'-[(2E,3Z)-2-ethylidene-5-methylhexa-3,5-dienyl]-2-prop-1-en-2-ylhexa-2,4-dienimidamide
SMILESC=CNC(=N\CC(/C=C\C(=C)C)=C/C)/C(=C/C(Br)=C\C)C(=C)C
InChIInChI=1S/C20H27BrN2/c1-8-17(12-11-15(4)5)14-23-20(22-10-3)19(16(6)7)13-18(21)9-2/h8-13H,3-4,6,14H2,1-2,5,7H3,(H,22,23)/b12-11-,17-8+,18-9+,19-13+
InChIKeyKEIPIGRMQRSYPB-SPLISZJDSA-N
MW375.35 g/mol
LogP6.00
Rot. Bonds8

About (2E,4E)-4-bromo-N-ethenyl-N'-[(2E,3Z)-2-ethylidene-5-methylhexa-3,5-dienyl]-2-prop-1-en-2-ylhexa-2,4-dienimidamide

(2E,4E)-4-bromo-N-ethenyl-N'-[(2E,3Z)-2-ethylidene-5-methylhexa-3,5-dienyl]-2-prop-1-en-2-ylhexa-2,4-dienimidamide (PubChem CID 155364844) has the molecular formula C20H27BrN2 and a molecular weight of 375.35 g/mol. Its IUPAC name is (2E,4E)-4-bromo-N-ethenyl-N'-[(2E,3Z)-2-ethylidene-5-methylhexa-3,5-dienyl]-2-prop-1-en-2-ylhexa-2,4-dienimidamide.

Molecular Properties

Compound Name(2E,4E)-4-bromo-N-ethenyl-N'-[(2E,3Z)-2-ethylidene-5-methylhexa-3,5-dienyl]-2-prop-1-en-2-ylhexa-2,4-dienimidamide
PubChem CID155364844
Molecular FormulaC20H27BrN2
Molecular Weight375.35 g/mol
Exact Mass374.14
IUPAC Name(2E,4E)-4-bromo-N-ethenyl-N'-[(2E,3Z)-2-ethylidene-5-methylhexa-3,5-dienyl]-2-prop-1-en-2-ylhexa-2,4-dienimidamide
SMILESC=CNC(=N\CC(/C=C\C(=C)C)=C/C)/C(=C/C(Br)=C\C)C(=C)C
InChIInChI=1S/C20H27BrN2/c1-8-17(12-11-15(4)5)14-23-20(22-10-3)19(16(6)7)13-18(21)9-2/h8-13H,3-4,6,14H2,1-2,5,7H3,(H,22,23)/b12-11-,17-8+,18-9+,19-13+
InChIKeyKEIPIGRMQRSYPB-SPLISZJDSA-N
XLogP6.00
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.35
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-4-bromo-N-ethenyl-N'-[(2E,3Z)-2-ethylidene-5-methylhexa-3,5-dienyl]-2-prop-1-en-2-ylhexa-2,4-dienimidamide?
The IUPAC name of (2E,4E)-4-bromo-N-ethenyl-N'-[(2E,3Z)-2-ethylidene-5-methylhexa-3,5-dienyl]-2-prop-1-en-2-ylhexa-2,4-dienimidamide (CID 155364844) is (2E,4E)-4-bromo-N-ethenyl-N'-[(2E,3Z)-2-ethylidene-5-methylhexa-3,5-dienyl]-2-prop-1-en-2-ylhexa-2,4-dienimidamide.
What is the SMILES notation for (2E,4E)-4-bromo-N-ethenyl-N'-[(2E,3Z)-2-ethylidene-5-methylhexa-3,5-dienyl]-2-prop-1-en-2-ylhexa-2,4-dienimidamide?
The canonical SMILES for (2E,4E)-4-bromo-N-ethenyl-N'-[(2E,3Z)-2-ethylidene-5-methylhexa-3,5-dienyl]-2-prop-1-en-2-ylhexa-2,4-dienimidamide is C=CNC(=N\CC(/C=C\C(=C)C)=C/C)/C(=C/C(Br)=C\C)C(=C)C.
What is the InChIKey of (2E,4E)-4-bromo-N-ethenyl-N'-[(2E,3Z)-2-ethylidene-5-methylhexa-3,5-dienyl]-2-prop-1-en-2-ylhexa-2,4-dienimidamide?
The InChIKey is KEIPIGRMQRSYPB-SPLISZJDSA-N. The full InChI is InChI=1S/C20H27BrN2/c1-8-17(12-11-15(4)5)14-23-20(22-10-3)19(16(6)7)13-18(21)9-2/h8-13H,3-4,6,14H2,1-2,5,7H3,(H,22,23)/b12-11-,17-8+,18-9+,19-13+.
What are the key properties of (2E,4E)-4-bromo-N-ethenyl-N'-[(2E,3Z)-2-ethylidene-5-methylhexa-3,5-dienyl]-2-prop-1-en-2-ylhexa-2,4-dienimidamide?
(2E,4E)-4-bromo-N-ethenyl-N'-[(2E,3Z)-2-ethylidene-5-methylhexa-3,5-dienyl]-2-prop-1-en-2-ylhexa-2,4-dienimidamide has a molecular weight of 375.35 g/mol, XLogP of 6.00, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-4-bromo-N-ethenyl-N'-[(2E,3Z)-2-ethylidene-5-methylhexa-3,5-dienyl]-2-prop-1-en-2-ylhexa-2,4-dienimidamide is sourced from PubChem (CID 155364844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).