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

C11H19NO — CID 167302985

IUPAC(2E,4Z,6E)-6-methoxy-4-methylnona-2,4,6-trien-3-amine
SMILESC/C=C(N)\C(C)=C/C(=C\CC)OC
InChIInChI=1S/C11H19NO/c1-5-7-10(13-4)8-9(3)11(12)6-2/h6-8H,5,12H2,1-4H3/b9-8-,10-7+,11-6+
InChIKeyPKIHPSWLEYPCHI-QPLXDQKVSA-N
MW181.28 g/mol
LogP2.74
Rot. Bonds4

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

(2E,4Z,6E)-6-methoxy-4-methylnona-2,4,6-trien-3-amine (PubChem CID 167302985) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (2E,4Z,6E)-6-methoxy-4-methylnona-2,4,6-trien-3-amine.

Molecular Properties

Compound Name(2E,4Z,6E)-6-methoxy-4-methylnona-2,4,6-trien-3-amine
PubChem CID167302985
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(2E,4Z,6E)-6-methoxy-4-methylnona-2,4,6-trien-3-amine
SMILESC/C=C(N)\C(C)=C/C(=C\CC)OC
InChIInChI=1S/C11H19NO/c1-5-7-10(13-4)8-9(3)11(12)6-2/h6-8H,5,12H2,1-4H3/b9-8-,10-7+,11-6+
InChIKeyPKIHPSWLEYPCHI-QPLXDQKVSA-N
XLogP2.74
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.74
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'}

Analyze (2E,4Z,6E)-6-methoxy-4-methylnona-2,4,6-trien-3-amine with MolForge

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Related Compounds

(3Z)-3-ethylidene-5-fluoro-6-methoxy-4-methylidenecyclohexa-1,5-dien-1-amine
CID 177202516
5-Methoxy-2-methylbenzene-4-id-1-amine;yttrium
CID 60070103
4-Methoxy-2,6-dimethylbenzene-5-id-1-amine;yttrium
CID 60083203
(3E)-5-methoxy-6-methylhepta-1,3,5-trien-3-amine
CID 88235023
(3Z,5E)-6-methoxy-2-methylocta-3,5,7-trien-3-amine
CID 88936644
(3Z,5E)-3-methoxy-7,7-dimethylocta-1,3,5-trien-4-amine
CID 88960998
(3E,5Z,7E)-5-methoxy-6,7-dimethylnona-3,5,7-trien-3-amine
CID 89240453
(3E,5Z)-3,7-dimethoxy-5-methylhepta-1,3,5-trien-2-amine
CID 90137721
5-methyl-2H-pyran-4-amine
CID 117900896
(2E,4Z,6Z)-5-ethoxy-4-[(E)-prop-1-enyl]octa-2,4,6-trien-2-amine
CID 126711921
(3Z,5E)-5-methoxy-2-methylnona-3,5-dien-3-amine
CID 126735355
(3Z,5E,7Z)-6-methoxy-2,2-dimethylnona-3,5,7-trien-3-amine
CID 129028276

Frequently Asked Questions

What is the IUPAC name of (2E,4Z,6E)-6-methoxy-4-methylnona-2,4,6-trien-3-amine?
The IUPAC name of (2E,4Z,6E)-6-methoxy-4-methylnona-2,4,6-trien-3-amine (CID 167302985) is (2E,4Z,6E)-6-methoxy-4-methylnona-2,4,6-trien-3-amine.
What is the SMILES notation for (2E,4Z,6E)-6-methoxy-4-methylnona-2,4,6-trien-3-amine?
The canonical SMILES for (2E,4Z,6E)-6-methoxy-4-methylnona-2,4,6-trien-3-amine is C/C=C(N)\C(C)=C/C(=C\CC)OC.
What is the InChIKey of (2E,4Z,6E)-6-methoxy-4-methylnona-2,4,6-trien-3-amine?
The InChIKey is PKIHPSWLEYPCHI-QPLXDQKVSA-N. The full InChI is InChI=1S/C11H19NO/c1-5-7-10(13-4)8-9(3)11(12)6-2/h6-8H,5,12H2,1-4H3/b9-8-,10-7+,11-6+.
What are the key properties of (2E,4Z,6E)-6-methoxy-4-methylnona-2,4,6-trien-3-amine?
(2E,4Z,6E)-6-methoxy-4-methylnona-2,4,6-trien-3-amine has a molecular weight of 181.28 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z,6E)-6-methoxy-4-methylnona-2,4,6-trien-3-amine is sourced from PubChem (CID 167302985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).