(3E,5Z)-4-[[(3E)-hexa-1,3,5-trien-3-yl]amino]octa-1,3,5,7-tetraen-2-ol

C14H17NO — CID 134365980

IUPAC(3E,5Z)-4-[[(3E)-hexa-1,3,5-trien-3-yl]amino]octa-1,3,5,7-tetraen-2-ol
SMILESC=C/C=C\C(=C/C(=C)O)N/C(C=C)=C/C=C
InChIInChI=1S/C14H17NO/c1-5-8-10-14(11-12(4)16)15-13(7-3)9-6-2/h5-11,15-16H,1-4H2/b10-8-,13-9+,14-11+
InChIKeyRKEKPDMWTFKTFI-HDXQCOBVSA-N
MW215.30 g/mol
LogP3.53
Rot. Bonds7

About (3E,5Z)-4-[[(3E)-hexa-1,3,5-trien-3-yl]amino]octa-1,3,5,7-tetraen-2-ol

(3E,5Z)-4-[[(3E)-hexa-1,3,5-trien-3-yl]amino]octa-1,3,5,7-tetraen-2-ol (PubChem CID 134365980) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is (3E,5Z)-4-[[(3E)-hexa-1,3,5-trien-3-yl]amino]octa-1,3,5,7-tetraen-2-ol.

Molecular Properties

Compound Name(3E,5Z)-4-[[(3E)-hexa-1,3,5-trien-3-yl]amino]octa-1,3,5,7-tetraen-2-ol
PubChem CID134365980
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name(3E,5Z)-4-[[(3E)-hexa-1,3,5-trien-3-yl]amino]octa-1,3,5,7-tetraen-2-ol
SMILESC=C/C=C\C(=C/C(=C)O)N/C(C=C)=C/C=C
InChIInChI=1S/C14H17NO/c1-5-8-10-14(11-12(4)16)15-13(7-3)9-6-2/h5-11,15-16H,1-4H2/b10-8-,13-9+,14-11+
InChIKeyRKEKPDMWTFKTFI-HDXQCOBVSA-N
XLogP3.53
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-4-[[(3E)-hexa-1,3,5-trien-3-yl]amino]octa-1,3,5,7-tetraen-2-ol?
The IUPAC name of (3E,5Z)-4-[[(3E)-hexa-1,3,5-trien-3-yl]amino]octa-1,3,5,7-tetraen-2-ol (CID 134365980) is (3E,5Z)-4-[[(3E)-hexa-1,3,5-trien-3-yl]amino]octa-1,3,5,7-tetraen-2-ol.
What is the SMILES notation for (3E,5Z)-4-[[(3E)-hexa-1,3,5-trien-3-yl]amino]octa-1,3,5,7-tetraen-2-ol?
The canonical SMILES for (3E,5Z)-4-[[(3E)-hexa-1,3,5-trien-3-yl]amino]octa-1,3,5,7-tetraen-2-ol is C=C/C=C\C(=C/C(=C)O)N/C(C=C)=C/C=C.
What is the InChIKey of (3E,5Z)-4-[[(3E)-hexa-1,3,5-trien-3-yl]amino]octa-1,3,5,7-tetraen-2-ol?
The InChIKey is RKEKPDMWTFKTFI-HDXQCOBVSA-N. The full InChI is InChI=1S/C14H17NO/c1-5-8-10-14(11-12(4)16)15-13(7-3)9-6-2/h5-11,15-16H,1-4H2/b10-8-,13-9+,14-11+.
What are the key properties of (3E,5Z)-4-[[(3E)-hexa-1,3,5-trien-3-yl]amino]octa-1,3,5,7-tetraen-2-ol?
(3E,5Z)-4-[[(3E)-hexa-1,3,5-trien-3-yl]amino]octa-1,3,5,7-tetraen-2-ol has a molecular weight of 215.30 g/mol, XLogP of 3.53, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-4-[[(3E)-hexa-1,3,5-trien-3-yl]amino]octa-1,3,5,7-tetraen-2-ol is sourced from PubChem (CID 134365980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).