(2E,4Z)-N-[(E)-[(2E)-2-ethenyl-5-methylhexa-2,4-dienylidene]amino]hepta-2,4,6-trien-3-amine

C16H22N2 — CID 88558712

IUPAC(2E,4Z)-N-[(E)-[(2E)-2-ethenyl-5-methylhexa-2,4-dienylidene]amino]hepta-2,4,6-trien-3-amine
SMILESC=C/C=C\C(=C/C)N/N=C/C(C=C)=C/C=C(C)C
InChIInChI=1S/C16H22N2/c1-6-9-10-16(8-3)18-17-13-15(7-2)12-11-14(4)5/h6-13,18H,1-2H2,3-5H3/b10-9-,15-12+,16-8+,17-13+
InChIKeyZFFKDWCSCRITCU-YZINXRMJSA-N
MW242.37 g/mol
LogP4.29
Rot. Bonds7

About (2E,4Z)-N-[(E)-[(2E)-2-ethenyl-5-methylhexa-2,4-dienylidene]amino]hepta-2,4,6-trien-3-amine

(2E,4Z)-N-[(E)-[(2E)-2-ethenyl-5-methylhexa-2,4-dienylidene]amino]hepta-2,4,6-trien-3-amine (PubChem CID 88558712) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is (2E,4Z)-N-[(E)-[(2E)-2-ethenyl-5-methylhexa-2,4-dienylidene]amino]hepta-2,4,6-trien-3-amine.

Molecular Properties

Compound Name(2E,4Z)-N-[(E)-[(2E)-2-ethenyl-5-methylhexa-2,4-dienylidene]amino]hepta-2,4,6-trien-3-amine
PubChem CID88558712
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name(2E,4Z)-N-[(E)-[(2E)-2-ethenyl-5-methylhexa-2,4-dienylidene]amino]hepta-2,4,6-trien-3-amine
SMILESC=C/C=C\C(=C/C)N/N=C/C(C=C)=C/C=C(C)C
InChIInChI=1S/C16H22N2/c1-6-9-10-16(8-3)18-17-13-15(7-2)12-11-14(4)5/h6-13,18H,1-2H2,3-5H3/b10-9-,15-12+,16-8+,17-13+
InChIKeyZFFKDWCSCRITCU-YZINXRMJSA-N
XLogP4.29
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (2E,4Z)-N-[(E)-[(2E)-2-ethenyl-5-methylhexa-2,4-dienylidene]amino]hepta-2,4,6-trien-3-amine?
The IUPAC name of (2E,4Z)-N-[(E)-[(2E)-2-ethenyl-5-methylhexa-2,4-dienylidene]amino]hepta-2,4,6-trien-3-amine (CID 88558712) is (2E,4Z)-N-[(E)-[(2E)-2-ethenyl-5-methylhexa-2,4-dienylidene]amino]hepta-2,4,6-trien-3-amine.
What is the SMILES notation for (2E,4Z)-N-[(E)-[(2E)-2-ethenyl-5-methylhexa-2,4-dienylidene]amino]hepta-2,4,6-trien-3-amine?
The canonical SMILES for (2E,4Z)-N-[(E)-[(2E)-2-ethenyl-5-methylhexa-2,4-dienylidene]amino]hepta-2,4,6-trien-3-amine is C=C/C=C\C(=C/C)N/N=C/C(C=C)=C/C=C(C)C.
What is the InChIKey of (2E,4Z)-N-[(E)-[(2E)-2-ethenyl-5-methylhexa-2,4-dienylidene]amino]hepta-2,4,6-trien-3-amine?
The InChIKey is ZFFKDWCSCRITCU-YZINXRMJSA-N. The full InChI is InChI=1S/C16H22N2/c1-6-9-10-16(8-3)18-17-13-15(7-2)12-11-14(4)5/h6-13,18H,1-2H2,3-5H3/b10-9-,15-12+,16-8+,17-13+.
What are the key properties of (2E,4Z)-N-[(E)-[(2E)-2-ethenyl-5-methylhexa-2,4-dienylidene]amino]hepta-2,4,6-trien-3-amine?
(2E,4Z)-N-[(E)-[(2E)-2-ethenyl-5-methylhexa-2,4-dienylidene]amino]hepta-2,4,6-trien-3-amine has a molecular weight of 242.37 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-N-[(E)-[(2E)-2-ethenyl-5-methylhexa-2,4-dienylidene]amino]hepta-2,4,6-trien-3-amine is sourced from PubChem (CID 88558712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).