6-[[2-[[(2Z)-2-ethenyl-3-hydroxypenta-2,4-dienyl]amino]ethyl-[(Z,2E)-2-ethylidenepent-3-enyl]amino]methyl]-3-methylcyclohexa-1,5-dien-1-ol

C24H36N2O2 — CID 139542379

IUPAC6-[[2-[[(2Z)-2-ethenyl-3-hydroxypenta-2,4-dienyl]amino]ethyl-[(Z,2E)-2-ethylidenepent-3-enyl]amino]methyl]-3-methylcyclohexa-1,5-dien-1-ol
SMILESC=C/C(O)=C(\C=C)CNCCN(CC1=CCC(C)C=C1O)CC(/C=C\C)=C/C
InChIInChI=1S/C24H36N2O2/c1-6-10-20(7-2)17-26(18-22-12-11-19(5)15-24(22)28)14-13-25-16-21(8-3)23(27)9-4/h6-10,12,15,19,25,27-28H,3-4,11,13-14,16-18H2,1-2,5H3/b10-6-,20-7+,23-21-
InChIKeyCSCXTSIXGDBPSA-PRPAUNKVSA-N
MW384.56 g/mol
LogP4.99
Rot. Bonds12

About 6-[[2-[[(2Z)-2-ethenyl-3-hydroxypenta-2,4-dienyl]amino]ethyl-[(Z,2E)-2-ethylidenepent-3-enyl]amino]methyl]-3-methylcyclohexa-1,5-dien-1-ol

6-[[2-[[(2Z)-2-ethenyl-3-hydroxypenta-2,4-dienyl]amino]ethyl-[(Z,2E)-2-ethylidenepent-3-enyl]amino]methyl]-3-methylcyclohexa-1,5-dien-1-ol (PubChem CID 139542379) has the molecular formula C24H36N2O2 and a molecular weight of 384.56 g/mol. Its IUPAC name is 6-[[2-[[(2Z)-2-ethenyl-3-hydroxypenta-2,4-dienyl]amino]ethyl-[(Z,2E)-2-ethylidenepent-3-enyl]amino]methyl]-3-methylcyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name6-[[2-[[(2Z)-2-ethenyl-3-hydroxypenta-2,4-dienyl]amino]ethyl-[(Z,2E)-2-ethylidenepent-3-enyl]amino]methyl]-3-methylcyclohexa-1,5-dien-1-ol
PubChem CID139542379
Molecular FormulaC24H36N2O2
Molecular Weight384.56 g/mol
Exact Mass384.28
IUPAC Name6-[[2-[[(2Z)-2-ethenyl-3-hydroxypenta-2,4-dienyl]amino]ethyl-[(Z,2E)-2-ethylidenepent-3-enyl]amino]methyl]-3-methylcyclohexa-1,5-dien-1-ol
SMILESC=C/C(O)=C(\C=C)CNCCN(CC1=CCC(C)C=C1O)CC(/C=C\C)=C/C
InChIInChI=1S/C24H36N2O2/c1-6-10-20(7-2)17-26(18-22-12-11-19(5)15-24(22)28)14-13-25-16-21(8-3)23(27)9-4/h6-10,12,15,19,25,27-28H,3-4,11,13-14,16-18H2,1-2,5H3/b10-6-,20-7+,23-21-
InChIKeyCSCXTSIXGDBPSA-PRPAUNKVSA-N
XLogP4.99
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.56
LogP ≤ 54.99
H-Bond Donors ≤ 53
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 6-[[2-[[(2Z)-2-ethenyl-3-hydroxypenta-2,4-dienyl]amino]ethyl-[(Z,2E)-2-ethylidenepent-3-enyl]amino]methyl]-3-methylcyclohexa-1,5-dien-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-[[(2Z)-2-ethenyl-3-hydroxypenta-2,4-dienyl]amino]ethyl-[(Z,2E)-2-ethylidenepent-3-enyl]amino]methyl]-3-methylcyclohexa-1,5-dien-1-ol?
The IUPAC name of 6-[[2-[[(2Z)-2-ethenyl-3-hydroxypenta-2,4-dienyl]amino]ethyl-[(Z,2E)-2-ethylidenepent-3-enyl]amino]methyl]-3-methylcyclohexa-1,5-dien-1-ol (CID 139542379) is 6-[[2-[[(2Z)-2-ethenyl-3-hydroxypenta-2,4-dienyl]amino]ethyl-[(Z,2E)-2-ethylidenepent-3-enyl]amino]methyl]-3-methylcyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 6-[[2-[[(2Z)-2-ethenyl-3-hydroxypenta-2,4-dienyl]amino]ethyl-[(Z,2E)-2-ethylidenepent-3-enyl]amino]methyl]-3-methylcyclohexa-1,5-dien-1-ol?
The canonical SMILES for 6-[[2-[[(2Z)-2-ethenyl-3-hydroxypenta-2,4-dienyl]amino]ethyl-[(Z,2E)-2-ethylidenepent-3-enyl]amino]methyl]-3-methylcyclohexa-1,5-dien-1-ol is C=C/C(O)=C(\C=C)CNCCN(CC1=CCC(C)C=C1O)CC(/C=C\C)=C/C.
What is the InChIKey of 6-[[2-[[(2Z)-2-ethenyl-3-hydroxypenta-2,4-dienyl]amino]ethyl-[(Z,2E)-2-ethylidenepent-3-enyl]amino]methyl]-3-methylcyclohexa-1,5-dien-1-ol?
The InChIKey is CSCXTSIXGDBPSA-PRPAUNKVSA-N. The full InChI is InChI=1S/C24H36N2O2/c1-6-10-20(7-2)17-26(18-22-12-11-19(5)15-24(22)28)14-13-25-16-21(8-3)23(27)9-4/h6-10,12,15,19,25,27-28H,3-4,11,13-14,16-18H2,1-2,5H3/b10-6-,20-7+,23-21-.
What are the key properties of 6-[[2-[[(2Z)-2-ethenyl-3-hydroxypenta-2,4-dienyl]amino]ethyl-[(Z,2E)-2-ethylidenepent-3-enyl]amino]methyl]-3-methylcyclohexa-1,5-dien-1-ol?
6-[[2-[[(2Z)-2-ethenyl-3-hydroxypenta-2,4-dienyl]amino]ethyl-[(Z,2E)-2-ethylidenepent-3-enyl]amino]methyl]-3-methylcyclohexa-1,5-dien-1-ol has a molecular weight of 384.56 g/mol, XLogP of 4.99, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-[[(2Z)-2-ethenyl-3-hydroxypenta-2,4-dienyl]amino]ethyl-[(Z,2E)-2-ethylidenepent-3-enyl]amino]methyl]-3-methylcyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 139542379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).