8-aminooct-1-en-3-ol

C8H17NO — CID 87089111

IUPAC8-aminooct-1-en-3-ol
SMILESC=CC(O)CCCCCN
InChIInChI=1S/C8H17NO/c1-2-8(10)6-4-3-5-7-9/h2,8,10H,1,3-7,9H2
InChIKeyXKQJDGLKNZBHSH-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.05
Rot. Bonds6

About 8-aminooct-1-en-3-ol

8-aminooct-1-en-3-ol (PubChem CID 87089111) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 8-aminooct-1-en-3-ol.

Molecular Properties

Compound Name8-aminooct-1-en-3-ol
PubChem CID87089111
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name8-aminooct-1-en-3-ol
SMILESC=CC(O)CCCCCN
InChIInChI=1S/C8H17NO/c1-2-8(10)6-4-3-5-7-9/h2,8,10H,1,3-7,9H2
InChIKeyXKQJDGLKNZBHSH-UHFFFAOYSA-N
XLogP1.05
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-aminooct-1-en-3-ol?
The IUPAC name of 8-aminooct-1-en-3-ol (CID 87089111) is 8-aminooct-1-en-3-ol.
What is the SMILES notation for 8-aminooct-1-en-3-ol?
The canonical SMILES for 8-aminooct-1-en-3-ol is C=CC(O)CCCCCN.
What is the InChIKey of 8-aminooct-1-en-3-ol?
The InChIKey is XKQJDGLKNZBHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-2-8(10)6-4-3-5-7-9/h2,8,10H,1,3-7,9H2.
What are the key properties of 8-aminooct-1-en-3-ol?
8-aminooct-1-en-3-ol has a molecular weight of 143.23 g/mol, XLogP of 1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-aminooct-1-en-3-ol is sourced from PubChem (CID 87089111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).