2-amino-3-ethenylocta-3,5-dien-1-ol

C10H17NO — CID 123257889

IUPAC2-amino-3-ethenylocta-3,5-dien-1-ol
SMILESC=CC(=CC=CCC)C(N)CO
InChIInChI=1S/C10H17NO/c1-3-5-6-7-9(4-2)10(11)8-12/h4-7,10,12H,2-3,8,11H2,1H3
InChIKeyQPTBDUNIJRHRLM-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.38
Rot. Bonds5

About 2-amino-3-ethenylocta-3,5-dien-1-ol

2-amino-3-ethenylocta-3,5-dien-1-ol (PubChem CID 123257889) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 2-amino-3-ethenylocta-3,5-dien-1-ol.

Molecular Properties

Compound Name2-amino-3-ethenylocta-3,5-dien-1-ol
PubChem CID123257889
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name2-amino-3-ethenylocta-3,5-dien-1-ol
SMILESC=CC(=CC=CCC)C(N)CO
InChIInChI=1S/C10H17NO/c1-3-5-6-7-9(4-2)10(11)8-12/h4-7,10,12H,2-3,8,11H2,1H3
InChIKeyQPTBDUNIJRHRLM-UHFFFAOYSA-N
XLogP1.38
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3S,5Z,7E)-3-amino-7-fluoro-4-methylidenenona-5,7-dien-1-ol
CID 135229493
(3E)-5-amino-3-fluoro-2,2,6-trimethylhepta-3,6-dien-1-ol
CID 139455860
(Z)-6-amino-4-ethenyl-3-(1-fluoroethenyl)hept-3-en-1-ol
CID 142279463
(2S)-2-amino-2-(5-fluorocyclohexa-1,5-dien-1-yl)ethanol
CID 144266272
(3E,5E)-2-amino-6-(2-fluoropropan-2-yl)-3-methylocta-3,5,7-trien-1-ol
CID 145012073
2-Amino-5-methylhex-4-en-1-ol
CID 55254047
(4Z)-3-amino-4-ethenyl-5-fluoro-6-methylhepta-4,6-dien-1-ol
CID 142547574
(4E)-2-amino-5,6-difluoro-3-methylidenehepta-4,6-dien-1-ol
CID 142559493
(2R,3Z,7E,9E,13R)-2-amino-13-methoxy-10-methylhexadeca-3,7,9,15-tetraen-1-ol
CID 11077232
2-Aminooct-4-en-1-ol
CID 55253955
6-Aminooct-4-en-1-ol
CID 57048558
(2S)-2-amino-5-methylhex-4-en-1-ol
CID 58308156

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-ethenylocta-3,5-dien-1-ol?
The IUPAC name of 2-amino-3-ethenylocta-3,5-dien-1-ol (CID 123257889) is 2-amino-3-ethenylocta-3,5-dien-1-ol.
What is the SMILES notation for 2-amino-3-ethenylocta-3,5-dien-1-ol?
The canonical SMILES for 2-amino-3-ethenylocta-3,5-dien-1-ol is C=CC(=CC=CCC)C(N)CO.
What is the InChIKey of 2-amino-3-ethenylocta-3,5-dien-1-ol?
The InChIKey is QPTBDUNIJRHRLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-3-5-6-7-9(4-2)10(11)8-12/h4-7,10,12H,2-3,8,11H2,1H3.
What are the key properties of 2-amino-3-ethenylocta-3,5-dien-1-ol?
2-amino-3-ethenylocta-3,5-dien-1-ol has a molecular weight of 167.25 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-ethenylocta-3,5-dien-1-ol is sourced from PubChem (CID 123257889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).