(2Z,4Z,6E)-2-amino-4,5-dimethylocta-2,4,6-trien-3-ol

C10H17NO — CID 88566743

IUPAC(2Z,4Z,6E)-2-amino-4,5-dimethylocta-2,4,6-trien-3-ol
SMILESC/C=C/C(C)=C(C)\C(O)=C(/C)N
InChIInChI=1S/C10H17NO/c1-5-6-7(2)8(3)10(12)9(4)11/h5-6,12H,11H2,1-4H3/b6-5+,8-7-,10-9-
InChIKeyXZBOFZIVZMHIHL-UICLQWDOSA-N
MW167.25 g/mol
LogP2.65
Rot. Bonds2

About (2Z,4Z,6E)-2-amino-4,5-dimethylocta-2,4,6-trien-3-ol

(2Z,4Z,6E)-2-amino-4,5-dimethylocta-2,4,6-trien-3-ol (PubChem CID 88566743) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (2Z,4Z,6E)-2-amino-4,5-dimethylocta-2,4,6-trien-3-ol.

Molecular Properties

Compound Name(2Z,4Z,6E)-2-amino-4,5-dimethylocta-2,4,6-trien-3-ol
PubChem CID88566743
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(2Z,4Z,6E)-2-amino-4,5-dimethylocta-2,4,6-trien-3-ol
SMILESC/C=C/C(C)=C(C)\C(O)=C(/C)N
InChIInChI=1S/C10H17NO/c1-5-6-7(2)8(3)10(12)9(4)11/h5-6,12H,11H2,1-4H3/b6-5+,8-7-,10-9-
InChIKeyXZBOFZIVZMHIHL-UICLQWDOSA-N
XLogP2.65
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z,4Z,6E)-2-amino-4,5-dimethylocta-2,4,6-trien-3-ol?
The IUPAC name of (2Z,4Z,6E)-2-amino-4,5-dimethylocta-2,4,6-trien-3-ol (CID 88566743) is (2Z,4Z,6E)-2-amino-4,5-dimethylocta-2,4,6-trien-3-ol.
What is the SMILES notation for (2Z,4Z,6E)-2-amino-4,5-dimethylocta-2,4,6-trien-3-ol?
The canonical SMILES for (2Z,4Z,6E)-2-amino-4,5-dimethylocta-2,4,6-trien-3-ol is C/C=C/C(C)=C(C)\C(O)=C(/C)N.
What is the InChIKey of (2Z,4Z,6E)-2-amino-4,5-dimethylocta-2,4,6-trien-3-ol?
The InChIKey is XZBOFZIVZMHIHL-UICLQWDOSA-N. The full InChI is InChI=1S/C10H17NO/c1-5-6-7(2)8(3)10(12)9(4)11/h5-6,12H,11H2,1-4H3/b6-5+,8-7-,10-9-.
What are the key properties of (2Z,4Z,6E)-2-amino-4,5-dimethylocta-2,4,6-trien-3-ol?
(2Z,4Z,6E)-2-amino-4,5-dimethylocta-2,4,6-trien-3-ol has a molecular weight of 167.25 g/mol, XLogP of 2.65, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z,6E)-2-amino-4,5-dimethylocta-2,4,6-trien-3-ol is sourced from PubChem (CID 88566743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).