(6E)-8-amino-2,6-dimethylocta-1,6-dien-3-ol

C10H19NO — CID 101231160

IUPAC(6E)-8-amino-2,6-dimethylocta-1,6-dien-3-ol
SMILESC=C(C)C(O)CC/C(C)=C/CN
InChIInChI=1S/C10H19NO/c1-8(2)10(12)5-4-9(3)6-7-11/h6,10,12H,1,4-5,7,11H2,2-3H3/b9-6+
InChIKeyPTTOIHWTXWCKSM-RMKNXTFCSA-N
MW169.27 g/mol
LogP1.61
Rot. Bonds5

About (6E)-8-amino-2,6-dimethylocta-1,6-dien-3-ol

(6E)-8-amino-2,6-dimethylocta-1,6-dien-3-ol (PubChem CID 101231160) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (6E)-8-amino-2,6-dimethylocta-1,6-dien-3-ol.

Molecular Properties

Compound Name(6E)-8-amino-2,6-dimethylocta-1,6-dien-3-ol
PubChem CID101231160
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(6E)-8-amino-2,6-dimethylocta-1,6-dien-3-ol
SMILESC=C(C)C(O)CC/C(C)=C/CN
InChIInChI=1S/C10H19NO/c1-8(2)10(12)5-4-9(3)6-7-11/h6,10,12H,1,4-5,7,11H2,2-3H3/b9-6+
InChIKeyPTTOIHWTXWCKSM-RMKNXTFCSA-N
XLogP1.61
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.61
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

6-Amino-2-methyloct-2-en-4-ol
CID 88176843
4-(2-Aminoethylidene)heptane-2,6-diol
CID 88470094
(4E,8E)-10-amino-4,8-dimethyldeca-4,8-dien-1-ol
CID 88811405
4-(3-Aminopropylidene)heptane-2,6-diol
CID 89719322
3-Amino-5-methylhept-5-en-2-ol
CID 91578217
(6E)-7-(aminomethyl)-6-ethenylnona-6,8-dien-3-ol
CID 142589710
(E,3S)-3-amino-5-methylhept-5-en-2-ol
CID 143986675
10-Amino-4,8-dimethyldeca-4,8-dien-1-ol
CID 173451830
(5E,7R)-8-amino-7-methyl-5-(2-methylpropyl)octa-1,5-dien-4-ol
CID 173999100
(E,7R)-8-amino-4,5,7-trimethyloct-5-en-2-ol
CID 174340695
(4E,8E)-11-amino-4-propylundeca-4,8-dien-1-ol
CID 175634089
(2E,5E)-1-amino-3-methylhepta-2,5-dien-4-ol
CID 55284292

Frequently Asked Questions

What is the IUPAC name of (6E)-8-amino-2,6-dimethylocta-1,6-dien-3-ol?
The IUPAC name of (6E)-8-amino-2,6-dimethylocta-1,6-dien-3-ol (CID 101231160) is (6E)-8-amino-2,6-dimethylocta-1,6-dien-3-ol.
What is the SMILES notation for (6E)-8-amino-2,6-dimethylocta-1,6-dien-3-ol?
The canonical SMILES for (6E)-8-amino-2,6-dimethylocta-1,6-dien-3-ol is C=C(C)C(O)CC/C(C)=C/CN.
What is the InChIKey of (6E)-8-amino-2,6-dimethylocta-1,6-dien-3-ol?
The InChIKey is PTTOIHWTXWCKSM-RMKNXTFCSA-N. The full InChI is InChI=1S/C10H19NO/c1-8(2)10(12)5-4-9(3)6-7-11/h6,10,12H,1,4-5,7,11H2,2-3H3/b9-6+.
What are the key properties of (6E)-8-amino-2,6-dimethylocta-1,6-dien-3-ol?
(6E)-8-amino-2,6-dimethylocta-1,6-dien-3-ol has a molecular weight of 169.27 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-8-amino-2,6-dimethylocta-1,6-dien-3-ol is sourced from PubChem (CID 101231160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).