(2Z,4E)-4-amino-6-(2-hydroxyethylamino)hexa-2,4-dien-1-ol

C8H16N2O2 — CID 163600476

IUPAC(2Z,4E)-4-amino-6-(2-hydroxyethylamino)hexa-2,4-dien-1-ol
SMILESNC(/C=C\CO)=C/CNCCO
InChIInChI=1S/C8H16N2O2/c9-8(2-1-6-11)3-4-10-5-7-12/h1-3,10-12H,4-7,9H2/b2-1-,8-3+
InChIKeyGXEFAORZWMJODL-CKRIMZSVSA-N
MW172.23 g/mol
LogP-1.04
Rot. Bonds6

About (2Z,4E)-4-amino-6-(2-hydroxyethylamino)hexa-2,4-dien-1-ol

(2Z,4E)-4-amino-6-(2-hydroxyethylamino)hexa-2,4-dien-1-ol (PubChem CID 163600476) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is (2Z,4E)-4-amino-6-(2-hydroxyethylamino)hexa-2,4-dien-1-ol.

Molecular Properties

Compound Name(2Z,4E)-4-amino-6-(2-hydroxyethylamino)hexa-2,4-dien-1-ol
PubChem CID163600476
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name(2Z,4E)-4-amino-6-(2-hydroxyethylamino)hexa-2,4-dien-1-ol
SMILESNC(/C=C\CO)=C/CNCCO
InChIInChI=1S/C8H16N2O2/c9-8(2-1-6-11)3-4-10-5-7-12/h1-3,10-12H,4-7,9H2/b2-1-,8-3+
InChIKeyGXEFAORZWMJODL-CKRIMZSVSA-N
XLogP-1.04
TPSA78.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-1.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-4-amino-6-(2-hydroxyethylamino)hexa-2,4-dien-1-ol?
The IUPAC name of (2Z,4E)-4-amino-6-(2-hydroxyethylamino)hexa-2,4-dien-1-ol (CID 163600476) is (2Z,4E)-4-amino-6-(2-hydroxyethylamino)hexa-2,4-dien-1-ol.
What is the SMILES notation for (2Z,4E)-4-amino-6-(2-hydroxyethylamino)hexa-2,4-dien-1-ol?
The canonical SMILES for (2Z,4E)-4-amino-6-(2-hydroxyethylamino)hexa-2,4-dien-1-ol is NC(/C=C\CO)=C/CNCCO.
What is the InChIKey of (2Z,4E)-4-amino-6-(2-hydroxyethylamino)hexa-2,4-dien-1-ol?
The InChIKey is GXEFAORZWMJODL-CKRIMZSVSA-N. The full InChI is InChI=1S/C8H16N2O2/c9-8(2-1-6-11)3-4-10-5-7-12/h1-3,10-12H,4-7,9H2/b2-1-,8-3+.
What are the key properties of (2Z,4E)-4-amino-6-(2-hydroxyethylamino)hexa-2,4-dien-1-ol?
(2Z,4E)-4-amino-6-(2-hydroxyethylamino)hexa-2,4-dien-1-ol has a molecular weight of 172.23 g/mol, XLogP of -1.04, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-4-amino-6-(2-hydroxyethylamino)hexa-2,4-dien-1-ol is sourced from PubChem (CID 163600476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).