(2E,3E)-4-amino-2-(2-aminoethylidene)hexa-3,5-dien-1-ol

C8H14N2O — CID 163470598

IUPAC(2E,3E)-4-amino-2-(2-aminoethylidene)hexa-3,5-dien-1-ol
SMILESC=C/C(N)=C\C(=C/CN)CO
InChIInChI=1S/C8H14N2O/c1-2-8(10)5-7(6-11)3-4-9/h2-3,5,11H,1,4,6,9-10H2/b7-3+,8-5+
InChIKeyBWFXSJRFGHVLEP-IUMFQGNOSA-N
MW154.21 g/mol
LogP-0.11
Rot. Bonds4

About (2E,3E)-4-amino-2-(2-aminoethylidene)hexa-3,5-dien-1-ol

(2E,3E)-4-amino-2-(2-aminoethylidene)hexa-3,5-dien-1-ol (PubChem CID 163470598) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is (2E,3E)-4-amino-2-(2-aminoethylidene)hexa-3,5-dien-1-ol.

Molecular Properties

Compound Name(2E,3E)-4-amino-2-(2-aminoethylidene)hexa-3,5-dien-1-ol
PubChem CID163470598
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name(2E,3E)-4-amino-2-(2-aminoethylidene)hexa-3,5-dien-1-ol
SMILESC=C/C(N)=C\C(=C/CN)CO
InChIInChI=1S/C8H14N2O/c1-2-8(10)5-7(6-11)3-4-9/h2-3,5,11H,1,4,6,9-10H2/b7-3+,8-5+
InChIKeyBWFXSJRFGHVLEP-IUMFQGNOSA-N
XLogP-0.11
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,3E)-4-amino-2-(2-aminoethylidene)hexa-3,5-dien-1-ol?
The IUPAC name of (2E,3E)-4-amino-2-(2-aminoethylidene)hexa-3,5-dien-1-ol (CID 163470598) is (2E,3E)-4-amino-2-(2-aminoethylidene)hexa-3,5-dien-1-ol.
What is the SMILES notation for (2E,3E)-4-amino-2-(2-aminoethylidene)hexa-3,5-dien-1-ol?
The canonical SMILES for (2E,3E)-4-amino-2-(2-aminoethylidene)hexa-3,5-dien-1-ol is C=C/C(N)=C\C(=C/CN)CO.
What is the InChIKey of (2E,3E)-4-amino-2-(2-aminoethylidene)hexa-3,5-dien-1-ol?
The InChIKey is BWFXSJRFGHVLEP-IUMFQGNOSA-N. The full InChI is InChI=1S/C8H14N2O/c1-2-8(10)5-7(6-11)3-4-9/h2-3,5,11H,1,4,6,9-10H2/b7-3+,8-5+.
What are the key properties of (2E,3E)-4-amino-2-(2-aminoethylidene)hexa-3,5-dien-1-ol?
(2E,3E)-4-amino-2-(2-aminoethylidene)hexa-3,5-dien-1-ol has a molecular weight of 154.21 g/mol, XLogP of -0.11, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3E)-4-amino-2-(2-aminoethylidene)hexa-3,5-dien-1-ol is sourced from PubChem (CID 163470598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).