2-[[(2E,4E)-5-amino-2-methoxypenta-2,4-dienyl]amino]ethanol

C8H16N2O2 — CID 118150779

IUPAC2-[[(2E,4E)-5-amino-2-methoxypenta-2,4-dienyl]amino]ethanol
SMILESCO/C(=C/C=C/N)CNCCO
InChIInChI=1S/C8H16N2O2/c1-12-8(3-2-4-9)7-10-5-6-11/h2-4,10-11H,5-7,9H2,1H3/b4-2+,8-3+
InChIKeyOYHXOFAUGSEKFV-BVOBWIRXSA-N
MW172.23 g/mol
LogP-0.43
Rot. Bonds6

About 2-[[(2E,4E)-5-amino-2-methoxypenta-2,4-dienyl]amino]ethanol

2-[[(2E,4E)-5-amino-2-methoxypenta-2,4-dienyl]amino]ethanol (PubChem CID 118150779) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 2-[[(2E,4E)-5-amino-2-methoxypenta-2,4-dienyl]amino]ethanol.

Molecular Properties

Compound Name2-[[(2E,4E)-5-amino-2-methoxypenta-2,4-dienyl]amino]ethanol
PubChem CID118150779
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name2-[[(2E,4E)-5-amino-2-methoxypenta-2,4-dienyl]amino]ethanol
SMILESCO/C(=C/C=C/N)CNCCO
InChIInChI=1S/C8H16N2O2/c1-12-8(3-2-4-9)7-10-5-6-11/h2-4,10-11H,5-7,9H2,1H3/b4-2+,8-3+
InChIKeyOYHXOFAUGSEKFV-BVOBWIRXSA-N
XLogP-0.43
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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 2-[[(2E,4E)-5-amino-2-methoxypenta-2,4-dienyl]amino]ethanol?
The IUPAC name of 2-[[(2E,4E)-5-amino-2-methoxypenta-2,4-dienyl]amino]ethanol (CID 118150779) is 2-[[(2E,4E)-5-amino-2-methoxypenta-2,4-dienyl]amino]ethanol.
What is the SMILES notation for 2-[[(2E,4E)-5-amino-2-methoxypenta-2,4-dienyl]amino]ethanol?
The canonical SMILES for 2-[[(2E,4E)-5-amino-2-methoxypenta-2,4-dienyl]amino]ethanol is CO/C(=C/C=C/N)CNCCO.
What is the InChIKey of 2-[[(2E,4E)-5-amino-2-methoxypenta-2,4-dienyl]amino]ethanol?
The InChIKey is OYHXOFAUGSEKFV-BVOBWIRXSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-12-8(3-2-4-9)7-10-5-6-11/h2-4,10-11H,5-7,9H2,1H3/b4-2+,8-3+.
What are the key properties of 2-[[(2E,4E)-5-amino-2-methoxypenta-2,4-dienyl]amino]ethanol?
2-[[(2E,4E)-5-amino-2-methoxypenta-2,4-dienyl]amino]ethanol has a molecular weight of 172.23 g/mol, XLogP of -0.43, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2E,4E)-5-amino-2-methoxypenta-2,4-dienyl]amino]ethanol is sourced from PubChem (CID 118150779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).