(2E,4Z,6E)-6-(aminomethylidene)-7,7-dimethylocta-2,4-dien-3-ol

C11H19NO — CID 167157394

IUPAC(2E,4Z,6E)-6-(aminomethylidene)-7,7-dimethylocta-2,4-dien-3-ol
SMILESC/C=C(O)\C=C/C(=C\N)C(C)(C)C
InChIInChI=1S/C11H19NO/c1-5-10(13)7-6-9(8-12)11(2,3)4/h5-8,13H,12H2,1-4H3/b7-6-,9-8+,10-5+
InChIKeyARQADGZOMDLEMK-IICOLZRNSA-N
MW181.28 g/mol
LogP2.89
Rot. Bonds2

About (2E,4Z,6E)-6-(aminomethylidene)-7,7-dimethylocta-2,4-dien-3-ol

(2E,4Z,6E)-6-(aminomethylidene)-7,7-dimethylocta-2,4-dien-3-ol (PubChem CID 167157394) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (2E,4Z,6E)-6-(aminomethylidene)-7,7-dimethylocta-2,4-dien-3-ol.

Molecular Properties

Compound Name(2E,4Z,6E)-6-(aminomethylidene)-7,7-dimethylocta-2,4-dien-3-ol
PubChem CID167157394
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(2E,4Z,6E)-6-(aminomethylidene)-7,7-dimethylocta-2,4-dien-3-ol
SMILESC/C=C(O)\C=C/C(=C\N)C(C)(C)C
InChIInChI=1S/C11H19NO/c1-5-10(13)7-6-9(8-12)11(2,3)4/h5-8,13H,12H2,1-4H3/b7-6-,9-8+,10-5+
InChIKeyARQADGZOMDLEMK-IICOLZRNSA-N
XLogP2.89
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.89
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 (2E,4Z,6E)-6-(aminomethylidene)-7,7-dimethylocta-2,4-dien-3-ol?
The IUPAC name of (2E,4Z,6E)-6-(aminomethylidene)-7,7-dimethylocta-2,4-dien-3-ol (CID 167157394) is (2E,4Z,6E)-6-(aminomethylidene)-7,7-dimethylocta-2,4-dien-3-ol.
What is the SMILES notation for (2E,4Z,6E)-6-(aminomethylidene)-7,7-dimethylocta-2,4-dien-3-ol?
The canonical SMILES for (2E,4Z,6E)-6-(aminomethylidene)-7,7-dimethylocta-2,4-dien-3-ol is C/C=C(O)\C=C/C(=C\N)C(C)(C)C.
What is the InChIKey of (2E,4Z,6E)-6-(aminomethylidene)-7,7-dimethylocta-2,4-dien-3-ol?
The InChIKey is ARQADGZOMDLEMK-IICOLZRNSA-N. The full InChI is InChI=1S/C11H19NO/c1-5-10(13)7-6-9(8-12)11(2,3)4/h5-8,13H,12H2,1-4H3/b7-6-,9-8+,10-5+.
What are the key properties of (2E,4Z,6E)-6-(aminomethylidene)-7,7-dimethylocta-2,4-dien-3-ol?
(2E,4Z,6E)-6-(aminomethylidene)-7,7-dimethylocta-2,4-dien-3-ol has a molecular weight of 181.28 g/mol, XLogP of 2.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z,6E)-6-(aminomethylidene)-7,7-dimethylocta-2,4-dien-3-ol is sourced from PubChem (CID 167157394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).