(3Z)-5-(2-aminoethylamino)hexa-1,3,5-trien-2-ol

C8H14N2O — CID 129055640

IUPAC(3Z)-5-(2-aminoethylamino)hexa-1,3,5-trien-2-ol
SMILESC=C(O)/C=C\C(=C)NCCN
InChIInChI=1S/C8H14N2O/c1-7(10-6-5-9)3-4-8(2)11/h3-4,10-11H,1-2,5-6,9H2/b4-3-
InChIKeyYJWXNGNEVIFEQC-ARJAWSKDSA-N
MW154.21 g/mol
LogP0.68
Rot. Bonds5

About (3Z)-5-(2-aminoethylamino)hexa-1,3,5-trien-2-ol

(3Z)-5-(2-aminoethylamino)hexa-1,3,5-trien-2-ol (PubChem CID 129055640) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is (3Z)-5-(2-aminoethylamino)hexa-1,3,5-trien-2-ol.

Molecular Properties

Compound Name(3Z)-5-(2-aminoethylamino)hexa-1,3,5-trien-2-ol
PubChem CID129055640
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name(3Z)-5-(2-aminoethylamino)hexa-1,3,5-trien-2-ol
SMILESC=C(O)/C=C\C(=C)NCCN
InChIInChI=1S/C8H14N2O/c1-7(10-6-5-9)3-4-8(2)11/h3-4,10-11H,1-2,5-6,9H2/b4-3-
InChIKeyYJWXNGNEVIFEQC-ARJAWSKDSA-N
XLogP0.68
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

4-[2-(Methylamino)ethylamino]-1,2-dihydropyridin-2-ol
CID 126518661
(3Z)-5-(methylamino)hexa-1,3,5-trien-2-ol
CID 132158475
(3Z)-5-aminopenta-1,3-dien-2-ol;ethane;ethene;1-methyl-5-methylidene-2H-pyrrole
CID 141786389
ethane;(3Z,5E)-5-(ethylamino)hepta-1,3,5-trien-2-ol
CID 143306575
(3E,5E)-6-[2-[ethyl(methyl)amino]ethylamino]hepta-1,3,5-trien-3-ol
CID 143505469
(2E,4Z)-6-(methylamino)hepta-2,4,6-trien-3-ol
CID 143756870
(2Z,4Z,6Z)-5-(ethylamino)octa-2,4,6-trien-4-ol
CID 144794263
(1Z,3Z)-5-(2-aminoethylamino)hexa-1,3,5-triene-1,2-diol
CID 144886678
(3Z)-5-[methyl-[2-(methylamino)ethyl]amino]hexa-1,3,5-trien-2-ol
CID 145113420
(3E)-4-(ethylamino)penta-1,3-dien-2-ol
CID 155196322
(2Z,4Z)-2-(ethylamino)hexa-2,4-dien-3-ol
CID 166687257
(3E)-5-(ethylamino)hexa-1,3,5-trien-3-ol
CID 169695461

Frequently Asked Questions

What is the IUPAC name of (3Z)-5-(2-aminoethylamino)hexa-1,3,5-trien-2-ol?
The IUPAC name of (3Z)-5-(2-aminoethylamino)hexa-1,3,5-trien-2-ol (CID 129055640) is (3Z)-5-(2-aminoethylamino)hexa-1,3,5-trien-2-ol.
What is the SMILES notation for (3Z)-5-(2-aminoethylamino)hexa-1,3,5-trien-2-ol?
The canonical SMILES for (3Z)-5-(2-aminoethylamino)hexa-1,3,5-trien-2-ol is C=C(O)/C=C\C(=C)NCCN.
What is the InChIKey of (3Z)-5-(2-aminoethylamino)hexa-1,3,5-trien-2-ol?
The InChIKey is YJWXNGNEVIFEQC-ARJAWSKDSA-N. The full InChI is InChI=1S/C8H14N2O/c1-7(10-6-5-9)3-4-8(2)11/h3-4,10-11H,1-2,5-6,9H2/b4-3-.
What are the key properties of (3Z)-5-(2-aminoethylamino)hexa-1,3,5-trien-2-ol?
(3Z)-5-(2-aminoethylamino)hexa-1,3,5-trien-2-ol has a molecular weight of 154.21 g/mol, XLogP of 0.68, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-(2-aminoethylamino)hexa-1,3,5-trien-2-ol is sourced from PubChem (CID 129055640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).