8-aminoocta-4,6-dien-1-ol

C8H15NO — CID 123355598

IUPAC8-aminoocta-4,6-dien-1-ol
SMILESNCC=CC=CCCCO
InChIInChI=1S/C8H15NO/c9-7-5-3-1-2-4-6-8-10/h1-3,5,10H,4,6-9H2
InChIKeyHHILEJJSRIKGKF-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.83
Rot. Bonds5

About 8-aminoocta-4,6-dien-1-ol

8-aminoocta-4,6-dien-1-ol (PubChem CID 123355598) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 8-aminoocta-4,6-dien-1-ol.

Molecular Properties

Compound Name8-aminoocta-4,6-dien-1-ol
PubChem CID123355598
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name8-aminoocta-4,6-dien-1-ol
SMILESNCC=CC=CCCCO
InChIInChI=1S/C8H15NO/c9-7-5-3-1-2-4-6-8-10/h1-3,5,10H,4,6-9H2
InChIKeyHHILEJJSRIKGKF-UHFFFAOYSA-N
XLogP0.83
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Dihydroxypropylallylamine
CID 129679370
(E)-5-aminopent-3-en-1-ol
CID 21608501
3-Aminohex-4-en-1-ol
CID 53984929
6-Aminohex-4-en-1-ol
CID 56985556
6-Aminooct-4-en-1-ol
CID 57048558
1-Aminooct-4-ene-1,8-diol
CID 57208307
(E)-8-aminooct-4-en-1-ol
CID 57958042
(2R)-2-amino-2-cyclohexa-1,5-dien-1-ylethanol
CID 68177021
5-Aminopent-3-en-1-ol
CID 73801102
2-Amino-2-cyclohexa-1,5-dien-1-ylethanol
CID 77417632
(E)-3-aminohex-4-en-1-ol
CID 88305462
(Z)-7-aminohept-4-en-1-ol
CID 88529489

Frequently Asked Questions

What is the IUPAC name of 8-aminoocta-4,6-dien-1-ol?
The IUPAC name of 8-aminoocta-4,6-dien-1-ol (CID 123355598) is 8-aminoocta-4,6-dien-1-ol.
What is the SMILES notation for 8-aminoocta-4,6-dien-1-ol?
The canonical SMILES for 8-aminoocta-4,6-dien-1-ol is NCC=CC=CCCCO.
What is the InChIKey of 8-aminoocta-4,6-dien-1-ol?
The InChIKey is HHILEJJSRIKGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c9-7-5-3-1-2-4-6-8-10/h1-3,5,10H,4,6-9H2.
What are the key properties of 8-aminoocta-4,6-dien-1-ol?
8-aminoocta-4,6-dien-1-ol has a molecular weight of 141.21 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-aminoocta-4,6-dien-1-ol is sourced from PubChem (CID 123355598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).