(2E,4Z)-N-[[(Z,2E)-2-ethylidenepent-3-enylidene]amino]hexa-2,4-dien-3-amine

C13H20N2 — CID 126495685

IUPAC(2E,4Z)-N-[[(Z,2E)-2-ethylidenepent-3-enylidene]amino]hexa-2,4-dien-3-amine
SMILESC/C=C\C(C=NNC(/C=C\C)=C/C)=C/C
InChIInChI=1S/C13H20N2/c1-5-9-12(7-3)11-14-15-13(8-4)10-6-2/h5-11,15H,1-4H3/b9-5-,10-6-,12-7+,13-8+,14-11?
InChIKeyXXEALYGMSWIYBN-WGJINMIBSA-N
MW204.32 g/mol
LogP3.56
Rot. Bonds5

About (2E,4Z)-N-[[(Z,2E)-2-ethylidenepent-3-enylidene]amino]hexa-2,4-dien-3-amine

(2E,4Z)-N-[[(Z,2E)-2-ethylidenepent-3-enylidene]amino]hexa-2,4-dien-3-amine (PubChem CID 126495685) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is (2E,4Z)-N-[[(Z,2E)-2-ethylidenepent-3-enylidene]amino]hexa-2,4-dien-3-amine.

Molecular Properties

Compound Name(2E,4Z)-N-[[(Z,2E)-2-ethylidenepent-3-enylidene]amino]hexa-2,4-dien-3-amine
PubChem CID126495685
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name(2E,4Z)-N-[[(Z,2E)-2-ethylidenepent-3-enylidene]amino]hexa-2,4-dien-3-amine
SMILESC/C=C\C(C=NNC(/C=C\C)=C/C)=C/C
InChIInChI=1S/C13H20N2/c1-5-9-12(7-3)11-14-15-13(8-4)10-6-2/h5-11,15H,1-4H3/b9-5-,10-6-,12-7+,13-8+,14-11?
InChIKeyXXEALYGMSWIYBN-WGJINMIBSA-N
XLogP3.56
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 53.56
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-[[(Z,2E)-2-ethylidenepent-3-enylidene]amino]hexa-2,4-dien-3-amine?
The IUPAC name of (2E,4Z)-N-[[(Z,2E)-2-ethylidenepent-3-enylidene]amino]hexa-2,4-dien-3-amine (CID 126495685) is (2E,4Z)-N-[[(Z,2E)-2-ethylidenepent-3-enylidene]amino]hexa-2,4-dien-3-amine.
What is the SMILES notation for (2E,4Z)-N-[[(Z,2E)-2-ethylidenepent-3-enylidene]amino]hexa-2,4-dien-3-amine?
The canonical SMILES for (2E,4Z)-N-[[(Z,2E)-2-ethylidenepent-3-enylidene]amino]hexa-2,4-dien-3-amine is C/C=C\C(C=NNC(/C=C\C)=C/C)=C/C.
What is the InChIKey of (2E,4Z)-N-[[(Z,2E)-2-ethylidenepent-3-enylidene]amino]hexa-2,4-dien-3-amine?
The InChIKey is XXEALYGMSWIYBN-WGJINMIBSA-N. The full InChI is InChI=1S/C13H20N2/c1-5-9-12(7-3)11-14-15-13(8-4)10-6-2/h5-11,15H,1-4H3/b9-5-,10-6-,12-7+,13-8+,14-11?.
What are the key properties of (2E,4Z)-N-[[(Z,2E)-2-ethylidenepent-3-enylidene]amino]hexa-2,4-dien-3-amine?
(2E,4Z)-N-[[(Z,2E)-2-ethylidenepent-3-enylidene]amino]hexa-2,4-dien-3-amine has a molecular weight of 204.32 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-N-[[(Z,2E)-2-ethylidenepent-3-enylidene]amino]hexa-2,4-dien-3-amine is sourced from PubChem (CID 126495685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).