(2E,4Z)-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-2-[(Z)-prop-1-enyl]-N-[(Z)-propylideneamino]hexa-2,4-dien-1-amine

C20H28N2 — CID 155004453

IUPAC(2E,4Z)-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-2-[(Z)-prop-1-enyl]-N-[(Z)-propylideneamino]hexa-2,4-dien-1-amine
SMILESC=C/C=C\C(=C/C=C)N(CC(/C=C\C)=C/C=C\C)/N=C\CC
InChIInChI=1S/C20H28N2/c1-6-11-15-19(13-8-3)18-22(21-17-10-5)20(14-9-4)16-12-7-2/h6-9,11-17H,2,4,10,18H2,1,3,5H3/b11-6-,13-8-,16-12-,19-15+,20-14+,21-17-
InChIKeyFFIQKJMNBKNUPN-PHQRJTLBSA-N
MW296.46 g/mol
LogP5.57
Rot. Bonds10

About (2E,4Z)-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-2-[(Z)-prop-1-enyl]-N-[(Z)-propylideneamino]hexa-2,4-dien-1-amine

(2E,4Z)-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-2-[(Z)-prop-1-enyl]-N-[(Z)-propylideneamino]hexa-2,4-dien-1-amine (PubChem CID 155004453) has the molecular formula C20H28N2 and a molecular weight of 296.46 g/mol. Its IUPAC name is (2E,4Z)-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-2-[(Z)-prop-1-enyl]-N-[(Z)-propylideneamino]hexa-2,4-dien-1-amine.

Molecular Properties

Compound Name(2E,4Z)-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-2-[(Z)-prop-1-enyl]-N-[(Z)-propylideneamino]hexa-2,4-dien-1-amine
PubChem CID155004453
Molecular FormulaC20H28N2
Molecular Weight296.46 g/mol
Exact Mass296.23
IUPAC Name(2E,4Z)-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-2-[(Z)-prop-1-enyl]-N-[(Z)-propylideneamino]hexa-2,4-dien-1-amine
SMILESC=C/C=C\C(=C/C=C)N(CC(/C=C\C)=C/C=C\C)/N=C\CC
InChIInChI=1S/C20H28N2/c1-6-11-15-19(13-8-3)18-22(21-17-10-5)20(14-9-4)16-12-7-2/h6-9,11-17H,2,4,10,18H2,1,3,5H3/b11-6-,13-8-,16-12-,19-15+,20-14+,21-17-
InChIKeyFFIQKJMNBKNUPN-PHQRJTLBSA-N
XLogP5.57
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.46
LogP ≤ 55.57
H-Bond Donors ≤ 50
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-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-2-[(Z)-prop-1-enyl]-N-[(Z)-propylideneamino]hexa-2,4-dien-1-amine?
The IUPAC name of (2E,4Z)-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-2-[(Z)-prop-1-enyl]-N-[(Z)-propylideneamino]hexa-2,4-dien-1-amine (CID 155004453) is (2E,4Z)-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-2-[(Z)-prop-1-enyl]-N-[(Z)-propylideneamino]hexa-2,4-dien-1-amine.
What is the SMILES notation for (2E,4Z)-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-2-[(Z)-prop-1-enyl]-N-[(Z)-propylideneamino]hexa-2,4-dien-1-amine?
The canonical SMILES for (2E,4Z)-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-2-[(Z)-prop-1-enyl]-N-[(Z)-propylideneamino]hexa-2,4-dien-1-amine is C=C/C=C\C(=C/C=C)N(CC(/C=C\C)=C/C=C\C)/N=C\CC.
What is the InChIKey of (2E,4Z)-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-2-[(Z)-prop-1-enyl]-N-[(Z)-propylideneamino]hexa-2,4-dien-1-amine?
The InChIKey is FFIQKJMNBKNUPN-PHQRJTLBSA-N. The full InChI is InChI=1S/C20H28N2/c1-6-11-15-19(13-8-3)18-22(21-17-10-5)20(14-9-4)16-12-7-2/h6-9,11-17H,2,4,10,18H2,1,3,5H3/b11-6-,13-8-,16-12-,19-15+,20-14+,21-17-.
What are the key properties of (2E,4Z)-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-2-[(Z)-prop-1-enyl]-N-[(Z)-propylideneamino]hexa-2,4-dien-1-amine?
(2E,4Z)-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-2-[(Z)-prop-1-enyl]-N-[(Z)-propylideneamino]hexa-2,4-dien-1-amine has a molecular weight of 296.46 g/mol, XLogP of 5.57, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-2-[(Z)-prop-1-enyl]-N-[(Z)-propylideneamino]hexa-2,4-dien-1-amine is sourced from PubChem (CID 155004453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).