(4Z,6Z)-8-methoxynona-1,4,6,8-tetraen-1-amine

C10H15NO — CID 90126526

IUPAC(4Z,6Z)-8-methoxynona-1,4,6,8-tetraen-1-amine
SMILESC=C(/C=C\C=C/CC=CN)OC
InChIInChI=1S/C10H15NO/c1-10(12-2)8-6-4-3-5-7-9-11/h3-4,6-9H,1,5,11H2,2H3/b4-3-,8-6-,9-7?
InChIKeyYKIKBXWNWULKHX-RVXMWKCSSA-N
MW165.24 g/mol
LogP2.12
Rot. Bonds5

About (4Z,6Z)-8-methoxynona-1,4,6,8-tetraen-1-amine

(4Z,6Z)-8-methoxynona-1,4,6,8-tetraen-1-amine (PubChem CID 90126526) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is (4Z,6Z)-8-methoxynona-1,4,6,8-tetraen-1-amine.

Molecular Properties

Compound Name(4Z,6Z)-8-methoxynona-1,4,6,8-tetraen-1-amine
PubChem CID90126526
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name(4Z,6Z)-8-methoxynona-1,4,6,8-tetraen-1-amine
SMILESC=C(/C=C\C=C/CC=CN)OC
InChIInChI=1S/C10H15NO/c1-10(12-2)8-6-4-3-5-7-9-11/h3-4,6-9H,1,5,11H2,2H3/b4-3-,8-6-,9-7?
InChIKeyYKIKBXWNWULKHX-RVXMWKCSSA-N
XLogP2.12
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.12
H-Bond Donors ≤ 51
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 (4Z,6Z)-8-methoxynona-1,4,6,8-tetraen-1-amine?
The IUPAC name of (4Z,6Z)-8-methoxynona-1,4,6,8-tetraen-1-amine (CID 90126526) is (4Z,6Z)-8-methoxynona-1,4,6,8-tetraen-1-amine.
What is the SMILES notation for (4Z,6Z)-8-methoxynona-1,4,6,8-tetraen-1-amine?
The canonical SMILES for (4Z,6Z)-8-methoxynona-1,4,6,8-tetraen-1-amine is C=C(/C=C\C=C/CC=CN)OC.
What is the InChIKey of (4Z,6Z)-8-methoxynona-1,4,6,8-tetraen-1-amine?
The InChIKey is YKIKBXWNWULKHX-RVXMWKCSSA-N. The full InChI is InChI=1S/C10H15NO/c1-10(12-2)8-6-4-3-5-7-9-11/h3-4,6-9H,1,5,11H2,2H3/b4-3-,8-6-,9-7?.
What are the key properties of (4Z,6Z)-8-methoxynona-1,4,6,8-tetraen-1-amine?
(4Z,6Z)-8-methoxynona-1,4,6,8-tetraen-1-amine has a molecular weight of 165.24 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6Z)-8-methoxynona-1,4,6,8-tetraen-1-amine is sourced from PubChem (CID 90126526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).