(2E)-6-[(6-ethyl-2-pyridinyl)-hydroxyamino]-3,7-dimethylocta-2,7-dien-1-ol

C17H26N2O2 — CID 54669846

IUPAC(2E)-6-[(6-ethyl-2-pyridinyl)-hydroxyamino]-3,7-dimethylocta-2,7-dien-1-ol
SMILESC=C(C)C(CC/C(C)=C/CO)N(O)c1cccc(CC)n1
InChIInChI=1S/C17H26N2O2/c1-5-15-7-6-8-17(18-15)19(21)16(13(2)3)10-9-14(4)11-12-20/h6-8,11,16,20-21H,2,5,9-10,12H2,1,3-4H3/b14-11+
InChIKeyZKTFIFQABFZEQZ-SDNWHVSQSA-N
MW290.41 g/mol
LogP3.50
Rot. Bonds8

About (2E)-6-[(6-ethyl-2-pyridinyl)-hydroxyamino]-3,7-dimethylocta-2,7-dien-1-ol

(2E)-6-[(6-ethyl-2-pyridinyl)-hydroxyamino]-3,7-dimethylocta-2,7-dien-1-ol (PubChem CID 54669846) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is (2E)-6-[(6-ethyl-2-pyridinyl)-hydroxyamino]-3,7-dimethylocta-2,7-dien-1-ol.

Molecular Properties

Compound Name(2E)-6-[(6-ethyl-2-pyridinyl)-hydroxyamino]-3,7-dimethylocta-2,7-dien-1-ol
PubChem CID54669846
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name(2E)-6-[(6-ethyl-2-pyridinyl)-hydroxyamino]-3,7-dimethylocta-2,7-dien-1-ol
SMILESC=C(C)C(CC/C(C)=C/CO)N(O)c1cccc(CC)n1
InChIInChI=1S/C17H26N2O2/c1-5-15-7-6-8-17(18-15)19(21)16(13(2)3)10-9-14(4)11-12-20/h6-8,11,16,20-21H,2,5,9-10,12H2,1,3-4H3/b14-11+
InChIKeyZKTFIFQABFZEQZ-SDNWHVSQSA-N
XLogP3.50
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-6-[(6-ethyl-2-pyridinyl)-hydroxyamino]-3,7-dimethylocta-2,7-dien-1-ol?
The IUPAC name of (2E)-6-[(6-ethyl-2-pyridinyl)-hydroxyamino]-3,7-dimethylocta-2,7-dien-1-ol (CID 54669846) is (2E)-6-[(6-ethyl-2-pyridinyl)-hydroxyamino]-3,7-dimethylocta-2,7-dien-1-ol.
What is the SMILES notation for (2E)-6-[(6-ethyl-2-pyridinyl)-hydroxyamino]-3,7-dimethylocta-2,7-dien-1-ol?
The canonical SMILES for (2E)-6-[(6-ethyl-2-pyridinyl)-hydroxyamino]-3,7-dimethylocta-2,7-dien-1-ol is C=C(C)C(CC/C(C)=C/CO)N(O)c1cccc(CC)n1.
What is the InChIKey of (2E)-6-[(6-ethyl-2-pyridinyl)-hydroxyamino]-3,7-dimethylocta-2,7-dien-1-ol?
The InChIKey is ZKTFIFQABFZEQZ-SDNWHVSQSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-5-15-7-6-8-17(18-15)19(21)16(13(2)3)10-9-14(4)11-12-20/h6-8,11,16,20-21H,2,5,9-10,12H2,1,3-4H3/b14-11+.
What are the key properties of (2E)-6-[(6-ethyl-2-pyridinyl)-hydroxyamino]-3,7-dimethylocta-2,7-dien-1-ol?
(2E)-6-[(6-ethyl-2-pyridinyl)-hydroxyamino]-3,7-dimethylocta-2,7-dien-1-ol has a molecular weight of 290.41 g/mol, XLogP of 3.50, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-6-[(6-ethyl-2-pyridinyl)-hydroxyamino]-3,7-dimethylocta-2,7-dien-1-ol is sourced from PubChem (CID 54669846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).