(4E,6Z)-5-methoxy-3-methylnona-4,6-dien-2-amine

C11H21NO — CID 135190234

IUPAC(4E,6Z)-5-methoxy-3-methylnona-4,6-dien-2-amine
SMILESCC/C=C\C(=C/C(C)C(C)N)OC
InChIInChI=1S/C11H21NO/c1-5-6-7-11(13-4)8-9(2)10(3)12/h6-10H,5,12H2,1-4H3/b7-6-,11-8+
InChIKeyVWNFEESNIMJEJI-BQGCWICQSA-N
MW183.29 g/mol
LogP2.47
Rot. Bonds5

About (4E,6Z)-5-methoxy-3-methylnona-4,6-dien-2-amine

(4E,6Z)-5-methoxy-3-methylnona-4,6-dien-2-amine (PubChem CID 135190234) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is (4E,6Z)-5-methoxy-3-methylnona-4,6-dien-2-amine.

Molecular Properties

Compound Name(4E,6Z)-5-methoxy-3-methylnona-4,6-dien-2-amine
PubChem CID135190234
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name(4E,6Z)-5-methoxy-3-methylnona-4,6-dien-2-amine
SMILESCC/C=C\C(=C/C(C)C(C)N)OC
InChIInChI=1S/C11H21NO/c1-5-6-7-11(13-4)8-9(2)10(3)12/h6-10H,5,12H2,1-4H3/b7-6-,11-8+
InChIKeyVWNFEESNIMJEJI-BQGCWICQSA-N
XLogP2.47
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.47
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 (4E,6Z)-5-methoxy-3-methylnona-4,6-dien-2-amine?
The IUPAC name of (4E,6Z)-5-methoxy-3-methylnona-4,6-dien-2-amine (CID 135190234) is (4E,6Z)-5-methoxy-3-methylnona-4,6-dien-2-amine.
What is the SMILES notation for (4E,6Z)-5-methoxy-3-methylnona-4,6-dien-2-amine?
The canonical SMILES for (4E,6Z)-5-methoxy-3-methylnona-4,6-dien-2-amine is CC/C=C\C(=C/C(C)C(C)N)OC.
What is the InChIKey of (4E,6Z)-5-methoxy-3-methylnona-4,6-dien-2-amine?
The InChIKey is VWNFEESNIMJEJI-BQGCWICQSA-N. The full InChI is InChI=1S/C11H21NO/c1-5-6-7-11(13-4)8-9(2)10(3)12/h6-10H,5,12H2,1-4H3/b7-6-,11-8+.
What are the key properties of (4E,6Z)-5-methoxy-3-methylnona-4,6-dien-2-amine?
(4E,6Z)-5-methoxy-3-methylnona-4,6-dien-2-amine has a molecular weight of 183.29 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6Z)-5-methoxy-3-methylnona-4,6-dien-2-amine is sourced from PubChem (CID 135190234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).