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

C6H11NO — CID 56635841

IUPAC1-aminohexa-2,4-dien-1-ol
SMILESCC=CC=CC(N)O
InChIInChI=1S/C6H11NO/c1-2-3-4-5-6(7)8/h2-6,8H,7H2,1H3
InChIKeyQFTQRHGUMGEOMA-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.40
Rot. Bonds2

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

1-aminohexa-2,4-dien-1-ol (PubChem CID 56635841) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 1-aminohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name1-aminohexa-2,4-dien-1-ol
PubChem CID56635841
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name1-aminohexa-2,4-dien-1-ol
SMILESCC=CC=CC(N)O
InChIInChI=1S/C6H11NO/c1-2-3-4-5-6(7)8/h2-6,8H,7H2,1H3
InChIKeyQFTQRHGUMGEOMA-UHFFFAOYSA-N
XLogP0.40
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-aminohexa-2,4-dien-1-ol?
The IUPAC name of 1-aminohexa-2,4-dien-1-ol (CID 56635841) is 1-aminohexa-2,4-dien-1-ol.
What is the SMILES notation for 1-aminohexa-2,4-dien-1-ol?
The canonical SMILES for 1-aminohexa-2,4-dien-1-ol is CC=CC=CC(N)O.
What is the InChIKey of 1-aminohexa-2,4-dien-1-ol?
The InChIKey is QFTQRHGUMGEOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-2-3-4-5-6(7)8/h2-6,8H,7H2,1H3.
What are the key properties of 1-aminohexa-2,4-dien-1-ol?
1-aminohexa-2,4-dien-1-ol has a molecular weight of 113.16 g/mol, XLogP of 0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminohexa-2,4-dien-1-ol is sourced from PubChem (CID 56635841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).