(3Z,5Z)-3-[[2-[[(2Z,3E)-3-hydroxy-2-prop-2-enylidenehexa-3,5-dienyl]amino]ethylamino]methyl]octa-1,3,5,7-tetraen-4-ol

C20H28N2O2 — CID 129061384

IUPAC(3Z,5Z)-3-[[2-[[(2Z,3E)-3-hydroxy-2-prop-2-enylidenehexa-3,5-dienyl]amino]ethylamino]methyl]octa-1,3,5,7-tetraen-4-ol
SMILESC=C/C=C\C(O)=C(/C=C)CNCCNCC(=C/C=C)/C(O)=C\C=C
InChIInChI=1S/C20H28N2O2/c1-5-9-12-20(24)17(8-4)15-21-13-14-22-16-18(10-6-2)19(23)11-7-3/h5-12,21-24H,1-4,13-16H2/b12-9-,18-10-,19-11+,20-17-
InChIKeyDHZNIGSOXDUQPK-CNSIQRESSA-N
MW328.46 g/mol
LogP3.65
Rot. Bonds13

About (3Z,5Z)-3-[[2-[[(2Z,3E)-3-hydroxy-2-prop-2-enylidenehexa-3,5-dienyl]amino]ethylamino]methyl]octa-1,3,5,7-tetraen-4-ol

(3Z,5Z)-3-[[2-[[(2Z,3E)-3-hydroxy-2-prop-2-enylidenehexa-3,5-dienyl]amino]ethylamino]methyl]octa-1,3,5,7-tetraen-4-ol (PubChem CID 129061384) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is (3Z,5Z)-3-[[2-[[(2Z,3E)-3-hydroxy-2-prop-2-enylidenehexa-3,5-dienyl]amino]ethylamino]methyl]octa-1,3,5,7-tetraen-4-ol.

Molecular Properties

Compound Name(3Z,5Z)-3-[[2-[[(2Z,3E)-3-hydroxy-2-prop-2-enylidenehexa-3,5-dienyl]amino]ethylamino]methyl]octa-1,3,5,7-tetraen-4-ol
PubChem CID129061384
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name(3Z,5Z)-3-[[2-[[(2Z,3E)-3-hydroxy-2-prop-2-enylidenehexa-3,5-dienyl]amino]ethylamino]methyl]octa-1,3,5,7-tetraen-4-ol
SMILESC=C/C=C\C(O)=C(/C=C)CNCCNCC(=C/C=C)/C(O)=C\C=C
InChIInChI=1S/C20H28N2O2/c1-5-9-12-20(24)17(8-4)15-21-13-14-22-16-18(10-6-2)19(23)11-7-3/h5-12,21-24H,1-4,13-16H2/b12-9-,18-10-,19-11+,20-17-
InChIKeyDHZNIGSOXDUQPK-CNSIQRESSA-N
XLogP3.65
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (3Z,5Z)-3-[[2-[[(2Z,3E)-3-hydroxy-2-prop-2-enylidenehexa-3,5-dienyl]amino]ethylamino]methyl]octa-1,3,5,7-tetraen-4-ol with MolForge

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Related Compounds

CID 132198547
CID 132198547
CID 138698311
CID 138698311
CID 139542110
CID 139542110
CID 139542184
CID 139542184
CID 139542245
CID 139542245
CID 139542367
CID 139542367
CID 139542379
CID 139542379
CID 142842673
CID 142842673
CID 144573083
CID 144573083
CID 145658499
CID 145658499
CID 173702862
CID 173702862
CID 143440668
CID 143440668

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-3-[[2-[[(2Z,3E)-3-hydroxy-2-prop-2-enylidenehexa-3,5-dienyl]amino]ethylamino]methyl]octa-1,3,5,7-tetraen-4-ol?
The IUPAC name of (3Z,5Z)-3-[[2-[[(2Z,3E)-3-hydroxy-2-prop-2-enylidenehexa-3,5-dienyl]amino]ethylamino]methyl]octa-1,3,5,7-tetraen-4-ol (CID 129061384) is (3Z,5Z)-3-[[2-[[(2Z,3E)-3-hydroxy-2-prop-2-enylidenehexa-3,5-dienyl]amino]ethylamino]methyl]octa-1,3,5,7-tetraen-4-ol.
What is the SMILES notation for (3Z,5Z)-3-[[2-[[(2Z,3E)-3-hydroxy-2-prop-2-enylidenehexa-3,5-dienyl]amino]ethylamino]methyl]octa-1,3,5,7-tetraen-4-ol?
The canonical SMILES for (3Z,5Z)-3-[[2-[[(2Z,3E)-3-hydroxy-2-prop-2-enylidenehexa-3,5-dienyl]amino]ethylamino]methyl]octa-1,3,5,7-tetraen-4-ol is C=C/C=C\C(O)=C(/C=C)CNCCNCC(=C/C=C)/C(O)=C\C=C.
What is the InChIKey of (3Z,5Z)-3-[[2-[[(2Z,3E)-3-hydroxy-2-prop-2-enylidenehexa-3,5-dienyl]amino]ethylamino]methyl]octa-1,3,5,7-tetraen-4-ol?
The InChIKey is DHZNIGSOXDUQPK-CNSIQRESSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-5-9-12-20(24)17(8-4)15-21-13-14-22-16-18(10-6-2)19(23)11-7-3/h5-12,21-24H,1-4,13-16H2/b12-9-,18-10-,19-11+,20-17-.
What are the key properties of (3Z,5Z)-3-[[2-[[(2Z,3E)-3-hydroxy-2-prop-2-enylidenehexa-3,5-dienyl]amino]ethylamino]methyl]octa-1,3,5,7-tetraen-4-ol?
(3Z,5Z)-3-[[2-[[(2Z,3E)-3-hydroxy-2-prop-2-enylidenehexa-3,5-dienyl]amino]ethylamino]methyl]octa-1,3,5,7-tetraen-4-ol has a molecular weight of 328.46 g/mol, XLogP of 3.65, 13 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-3-[[2-[[(2Z,3E)-3-hydroxy-2-prop-2-enylidenehexa-3,5-dienyl]amino]ethylamino]methyl]octa-1,3,5,7-tetraen-4-ol is sourced from PubChem (CID 129061384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).