(2E,4E,6Z)-5-(methoxymethyl)-N-methylocta-2,4,6-trien-2-amine

C11H19NO — CID 139566640

IUPAC(2E,4E,6Z)-5-(methoxymethyl)-N-methylocta-2,4,6-trien-2-amine
SMILESC/C=C\C(=C/C=C(\C)NC)COC
InChIInChI=1S/C11H19NO/c1-5-6-11(9-13-4)8-7-10(2)12-3/h5-8,12H,9H2,1-4H3/b6-5-,10-7+,11-8+
InChIKeyVZKVBUGKNDMXJB-HKAXXRRESA-N
MW181.28 g/mol
LogP2.26
Rot. Bonds5

About (2E,4E,6Z)-5-(methoxymethyl)-N-methylocta-2,4,6-trien-2-amine

(2E,4E,6Z)-5-(methoxymethyl)-N-methylocta-2,4,6-trien-2-amine (PubChem CID 139566640) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (2E,4E,6Z)-5-(methoxymethyl)-N-methylocta-2,4,6-trien-2-amine.

Molecular Properties

Compound Name(2E,4E,6Z)-5-(methoxymethyl)-N-methylocta-2,4,6-trien-2-amine
PubChem CID139566640
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(2E,4E,6Z)-5-(methoxymethyl)-N-methylocta-2,4,6-trien-2-amine
SMILESC/C=C\C(=C/C=C(\C)NC)COC
InChIInChI=1S/C11H19NO/c1-5-6-11(9-13-4)8-7-10(2)12-3/h5-8,12H,9H2,1-4H3/b6-5-,10-7+,11-8+
InChIKeyVZKVBUGKNDMXJB-HKAXXRRESA-N
XLogP2.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4E,6Z)-5-(methoxymethyl)-N-methylocta-2,4,6-trien-2-amine?
The IUPAC name of (2E,4E,6Z)-5-(methoxymethyl)-N-methylocta-2,4,6-trien-2-amine (CID 139566640) is (2E,4E,6Z)-5-(methoxymethyl)-N-methylocta-2,4,6-trien-2-amine.
What is the SMILES notation for (2E,4E,6Z)-5-(methoxymethyl)-N-methylocta-2,4,6-trien-2-amine?
The canonical SMILES for (2E,4E,6Z)-5-(methoxymethyl)-N-methylocta-2,4,6-trien-2-amine is C/C=C\C(=C/C=C(\C)NC)COC.
What is the InChIKey of (2E,4E,6Z)-5-(methoxymethyl)-N-methylocta-2,4,6-trien-2-amine?
The InChIKey is VZKVBUGKNDMXJB-HKAXXRRESA-N. The full InChI is InChI=1S/C11H19NO/c1-5-6-11(9-13-4)8-7-10(2)12-3/h5-8,12H,9H2,1-4H3/b6-5-,10-7+,11-8+.
What are the key properties of (2E,4E,6Z)-5-(methoxymethyl)-N-methylocta-2,4,6-trien-2-amine?
(2E,4E,6Z)-5-(methoxymethyl)-N-methylocta-2,4,6-trien-2-amine has a molecular weight of 181.28 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6Z)-5-(methoxymethyl)-N-methylocta-2,4,6-trien-2-amine is sourced from PubChem (CID 139566640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).