4-aminohexa-2,5-dien-1-ol

C6H11NO — CID 73185628

IUPAC4-aminohexa-2,5-dien-1-ol
SMILESC=CC(N)C=CCO
InChIInChI=1S/C6H11NO/c1-2-6(7)4-3-5-8/h2-4,6,8H,1,5,7H2
InChIKeyVARWFXOVRJYBPF-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.05
Rot. Bonds3

About 4-aminohexa-2,5-dien-1-ol

4-aminohexa-2,5-dien-1-ol (PubChem CID 73185628) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 4-aminohexa-2,5-dien-1-ol.

Molecular Properties

Compound Name4-aminohexa-2,5-dien-1-ol
PubChem CID73185628
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name4-aminohexa-2,5-dien-1-ol
SMILESC=CC(N)C=CCO
InChIInChI=1S/C6H11NO/c1-2-6(7)4-3-5-8/h2-4,6,8H,1,5,7H2
InChIKeyVARWFXOVRJYBPF-UHFFFAOYSA-N
XLogP0.05
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-aminohexa-2,5-dien-1-ol?
The IUPAC name of 4-aminohexa-2,5-dien-1-ol (CID 73185628) is 4-aminohexa-2,5-dien-1-ol.
What is the SMILES notation for 4-aminohexa-2,5-dien-1-ol?
The canonical SMILES for 4-aminohexa-2,5-dien-1-ol is C=CC(N)C=CCO.
What is the InChIKey of 4-aminohexa-2,5-dien-1-ol?
The InChIKey is VARWFXOVRJYBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-2-6(7)4-3-5-8/h2-4,6,8H,1,5,7H2.
What are the key properties of 4-aminohexa-2,5-dien-1-ol?
4-aminohexa-2,5-dien-1-ol has a molecular weight of 113.16 g/mol, XLogP of 0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminohexa-2,5-dien-1-ol is sourced from PubChem (CID 73185628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).