(E)-3-aminooct-6-en-4-ol

C8H17NO — CID 20676249

IUPAC(E)-3-aminooct-6-en-4-ol
SMILESC/C=C/CC(O)C(N)CC
InChIInChI=1S/C8H17NO/c1-3-5-6-8(10)7(9)4-2/h3,5,7-8,10H,4,6,9H2,1-2H3/b5-3+
InChIKeyNPVYXSILFVYZRR-HWKANZROSA-N
MW143.23 g/mol
LogP1.05
Rot. Bonds4

About (E)-3-aminooct-6-en-4-ol

(E)-3-aminooct-6-en-4-ol (PubChem CID 20676249) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is (E)-3-aminooct-6-en-4-ol.

Molecular Properties

Compound Name(E)-3-aminooct-6-en-4-ol
PubChem CID20676249
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name(E)-3-aminooct-6-en-4-ol
SMILESC/C=C/CC(O)C(N)CC
InChIInChI=1S/C8H17NO/c1-3-5-6-8(10)7(9)4-2/h3,5,7-8,10H,4,6,9H2,1-2H3/b5-3+
InChIKeyNPVYXSILFVYZRR-HWKANZROSA-N
XLogP1.05
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3R,4S)-4-aminohexan-3-ol
CID 640991
(E)-2-methylhept-5-en-3-ol
CID 12592438
(Z)-4-propyloct-6-en-3-amine
CID 89392102
3-amino-1-fluoropentan-2-ol
CID 10772967
acetylene;ethane;(Z,5S)-6-ethylnon-2-en-5-ol
CID 143066011
(Z,2S)-3-ethylhept-5-en-2-ol
CID 89085981
(2R,3R,4R,5S)-dec-8-ene-1,2,3,4,5,6-hexol
CID 141460109
(E,2R,3R)-1-amino-3-methylhept-5-en-2-ol
CID 163757336
(Z)-1-aminohex-4-en-2-ol
CID 155394876
(4S)-1,4-diaminohexan-3-ol
CID 149307886
5-amino-2-methylheptan-4-ol
CID 21419745
(E,2R)-2-aminohex-4-en-1-ol
CID 11344006

Frequently Asked Questions

What is the IUPAC name of (E)-3-aminooct-6-en-4-ol?
The IUPAC name of (E)-3-aminooct-6-en-4-ol (CID 20676249) is (E)-3-aminooct-6-en-4-ol.
What is the SMILES notation for (E)-3-aminooct-6-en-4-ol?
The canonical SMILES for (E)-3-aminooct-6-en-4-ol is C/C=C/CC(O)C(N)CC.
What is the InChIKey of (E)-3-aminooct-6-en-4-ol?
The InChIKey is NPVYXSILFVYZRR-HWKANZROSA-N. The full InChI is InChI=1S/C8H17NO/c1-3-5-6-8(10)7(9)4-2/h3,5,7-8,10H,4,6,9H2,1-2H3/b5-3+.
What are the key properties of (E)-3-aminooct-6-en-4-ol?
(E)-3-aminooct-6-en-4-ol has a molecular weight of 143.23 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-aminooct-6-en-4-ol is sourced from PubChem (CID 20676249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).