6-aminooct-4-en-1-ol

C8H17NO — CID 57048558

IUPAC6-aminooct-4-en-1-ol
SMILESCCC(N)C=CCCCO
InChIInChI=1S/C8H17NO/c1-2-8(9)6-4-3-5-7-10/h4,6,8,10H,2-3,5,7,9H2,1H3
InChIKeyWPFJULAKXLIPQK-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.05
Rot. Bonds5

About 6-aminooct-4-en-1-ol

6-aminooct-4-en-1-ol (PubChem CID 57048558) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 6-aminooct-4-en-1-ol.

Molecular Properties

Compound Name6-aminooct-4-en-1-ol
PubChem CID57048558
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name6-aminooct-4-en-1-ol
SMILESCCC(N)C=CCCCO
InChIInChI=1S/C8H17NO/c1-2-8(9)6-4-3-5-7-10/h4,6,8,10H,2-3,5,7,9H2,1H3
InChIKeyWPFJULAKXLIPQK-UHFFFAOYSA-N
XLogP1.05
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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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Related Compounds

(Z)-7-amino-3-fluoro-3-methyloct-5-en-1-ol
CID 155183993
2-Amino-5-methylhex-4-en-1-ol
CID 55254047
(E,2R)-2-aminohex-4-en-1-ol
CID 11344006
2-Aminohex-4-en-1-ol
CID 11344109
4-Aminooct-6-en-3-ol
CID 53806244
3-Aminohex-4-en-1-ol
CID 53984929
2-Aminopent-3-en-1-ol
CID 54479104
2-Aminooct-4-en-1-ol
CID 55253955
(S,E)-2-Aminopent-3-en-1-ol
CID 55283755
(5E)-4-amino-6,10-dimethylundeca-5,9-dien-1-ol
CID 56942566
6-Aminohex-4-en-1-ol
CID 56985556
1-Aminooct-4-ene-1,8-diol
CID 57208307

Frequently Asked Questions

What is the IUPAC name of 6-aminooct-4-en-1-ol?
The IUPAC name of 6-aminooct-4-en-1-ol (CID 57048558) is 6-aminooct-4-en-1-ol.
What is the SMILES notation for 6-aminooct-4-en-1-ol?
The canonical SMILES for 6-aminooct-4-en-1-ol is CCC(N)C=CCCCO.
What is the InChIKey of 6-aminooct-4-en-1-ol?
The InChIKey is WPFJULAKXLIPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-2-8(9)6-4-3-5-7-10/h4,6,8,10H,2-3,5,7,9H2,1H3.
What are the key properties of 6-aminooct-4-en-1-ol?
6-aminooct-4-en-1-ol has a molecular weight of 143.23 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-aminooct-4-en-1-ol is sourced from PubChem (CID 57048558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).