(2E,4E)-4-[[(3E,5Z)-hepta-1,3,5-trien-4-yl]amino]hepta-2,4,6-trien-2-ol

C14H19NO — CID 146261857

IUPAC(2E,4E)-4-[[(3E,5Z)-hepta-1,3,5-trien-4-yl]amino]hepta-2,4,6-trien-2-ol
SMILESC=C/C=C(\C=C/C)NC(/C=C(\C)O)=C/C=C
InChIInChI=1S/C14H19NO/c1-5-8-13(9-6-2)15-14(10-7-3)11-12(4)16/h5-11,15-16H,1,3H2,2,4H3/b9-6-,12-11+,13-8+,14-10+
InChIKeyGYWQZUCPAQVESC-TYWDGXOTSA-N
MW217.31 g/mol
LogP3.75
Rot. Bonds6

About (2E,4E)-4-[[(3E,5Z)-hepta-1,3,5-trien-4-yl]amino]hepta-2,4,6-trien-2-ol

(2E,4E)-4-[[(3E,5Z)-hepta-1,3,5-trien-4-yl]amino]hepta-2,4,6-trien-2-ol (PubChem CID 146261857) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is (2E,4E)-4-[[(3E,5Z)-hepta-1,3,5-trien-4-yl]amino]hepta-2,4,6-trien-2-ol.

Molecular Properties

Compound Name(2E,4E)-4-[[(3E,5Z)-hepta-1,3,5-trien-4-yl]amino]hepta-2,4,6-trien-2-ol
PubChem CID146261857
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name(2E,4E)-4-[[(3E,5Z)-hepta-1,3,5-trien-4-yl]amino]hepta-2,4,6-trien-2-ol
SMILESC=C/C=C(\C=C/C)NC(/C=C(\C)O)=C/C=C
InChIInChI=1S/C14H19NO/c1-5-8-13(9-6-2)15-14(10-7-3)11-12(4)16/h5-11,15-16H,1,3H2,2,4H3/b9-6-,12-11+,13-8+,14-10+
InChIKeyGYWQZUCPAQVESC-TYWDGXOTSA-N
XLogP3.75
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.75
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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Related Compounds

(3E,5Z)-N-iodohepta-1,3,5-trien-4-amine
CID 144727165
N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]thiohydroxylamine
CID 143724474
(2E,3E)-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-hydroxy-2-prop-2-enylidenehexa-3,5-dienamide
CID 143020297
ethane;[(3E,5Z)-hepta-1,3,5-trien-4-yl]hydrazine
CID 142089617
(3E,5Z)-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]octa-1,3,5,7-tetraen-4-amine
CID 170401360
1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]urea
CID 166820830
2-[[(3E,5Z)-hepta-1,3,5-trien-4-yl]amino]ethanol
CID 142933959
(3Z,5Z)-hepta-1,3,5-trien-4-amine
CID 171106725
N,N-dimethylmethanamine;(3E,5Z)-hepta-1,3,5-trien-4-amine
CID 144734718
butan-2-one;ethane;N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]formamide
CID 142225178
N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-N'-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]oxamide
CID 146500777
N,N-dimethylhepta-1,3,5-trien-4-amine
CID 72511358

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-4-[[(3E,5Z)-hepta-1,3,5-trien-4-yl]amino]hepta-2,4,6-trien-2-ol?
The IUPAC name of (2E,4E)-4-[[(3E,5Z)-hepta-1,3,5-trien-4-yl]amino]hepta-2,4,6-trien-2-ol (CID 146261857) is (2E,4E)-4-[[(3E,5Z)-hepta-1,3,5-trien-4-yl]amino]hepta-2,4,6-trien-2-ol.
What is the SMILES notation for (2E,4E)-4-[[(3E,5Z)-hepta-1,3,5-trien-4-yl]amino]hepta-2,4,6-trien-2-ol?
The canonical SMILES for (2E,4E)-4-[[(3E,5Z)-hepta-1,3,5-trien-4-yl]amino]hepta-2,4,6-trien-2-ol is C=C/C=C(\C=C/C)NC(/C=C(\C)O)=C/C=C.
What is the InChIKey of (2E,4E)-4-[[(3E,5Z)-hepta-1,3,5-trien-4-yl]amino]hepta-2,4,6-trien-2-ol?
The InChIKey is GYWQZUCPAQVESC-TYWDGXOTSA-N. The full InChI is InChI=1S/C14H19NO/c1-5-8-13(9-6-2)15-14(10-7-3)11-12(4)16/h5-11,15-16H,1,3H2,2,4H3/b9-6-,12-11+,13-8+,14-10+.
What are the key properties of (2E,4E)-4-[[(3E,5Z)-hepta-1,3,5-trien-4-yl]amino]hepta-2,4,6-trien-2-ol?
(2E,4E)-4-[[(3E,5Z)-hepta-1,3,5-trien-4-yl]amino]hepta-2,4,6-trien-2-ol has a molecular weight of 217.31 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-4-[[(3E,5Z)-hepta-1,3,5-trien-4-yl]amino]hepta-2,4,6-trien-2-ol is sourced from PubChem (CID 146261857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).