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

C11H19NO — CID 144560026

IUPAC(2E,4E)-5-methoxy-6-methylidenenona-2,4-dien-3-amine
SMILESC=C(CCC)/C(=C\C(N)=C/C)OC
InChIInChI=1S/C11H19NO/c1-5-7-9(3)11(13-4)8-10(12)6-2/h6,8H,3,5,7,12H2,1-2,4H3/b10-6+,11-8+
InChIKeySXBIHHGEKVZOOJ-NSJFVGFPSA-N
MW181.28 g/mol
LogP2.74
Rot. Bonds5

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

(2E,4E)-5-methoxy-6-methylidenenona-2,4-dien-3-amine (PubChem CID 144560026) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (2E,4E)-5-methoxy-6-methylidenenona-2,4-dien-3-amine.

Molecular Properties

Compound Name(2E,4E)-5-methoxy-6-methylidenenona-2,4-dien-3-amine
PubChem CID144560026
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(2E,4E)-5-methoxy-6-methylidenenona-2,4-dien-3-amine
SMILESC=C(CCC)/C(=C\C(N)=C/C)OC
InChIInChI=1S/C11H19NO/c1-5-7-9(3)11(13-4)8-10(12)6-2/h6,8H,3,5,7,12H2,1-2,4H3/b10-6+,11-8+
InChIKeySXBIHHGEKVZOOJ-NSJFVGFPSA-N
XLogP2.74
TPSA35.25 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 ≤ 52.74
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,4E)-5-methoxy-6-methylidenenona-2,4-dien-3-amine with MolForge

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Launch Full Analysis

Related Compounds

(3E,5Z,7E)-5-methoxy-6,7-dimethylnona-3,5,7-trien-3-amine
CID 89240453
(3Z,5E)-5-methoxy-2-methylnona-3,5-dien-3-amine
CID 126735355
4-Tert-butyl-5-methoxycyclohepta-1,3,5-trien-1-amine
CID 130414536
2-(3-Methylbuta-1,3-dien-2-yloxy)cyclohexa-1,5-dien-1-amine
CID 134354789
(3E)-2-methoxy-5-methylideneocta-1,3-dien-3-amine
CID 142536205
(3E,5E)-5-methoxy-2-methylhepta-1,3,5-trien-3-amine
CID 143186298
ethane;(2E,4E,6Z)-3-methoxy-6-methylocta-2,4,6-trien-4-amine
CID 143256813
(3E)-4-methoxy-5-methylhexa-1,3,5-trien-2-amine
CID 143268189
5-Methoxy-2-methylcyclohexa-1,5-dien-1-amine
CID 144501884
ethane;(3Z)-4-methoxy-5-methylhexa-1,3,5-trien-3-amine
CID 144610849
3-Butoxy-4-methylcyclohexa-1,3-dien-1-amine
CID 144761133
(4E,6E)-5-methoxy-7-methylnona-4,6,8-trien-4-amine
CID 156450918

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-5-methoxy-6-methylidenenona-2,4-dien-3-amine?
The IUPAC name of (2E,4E)-5-methoxy-6-methylidenenona-2,4-dien-3-amine (CID 144560026) is (2E,4E)-5-methoxy-6-methylidenenona-2,4-dien-3-amine.
What is the SMILES notation for (2E,4E)-5-methoxy-6-methylidenenona-2,4-dien-3-amine?
The canonical SMILES for (2E,4E)-5-methoxy-6-methylidenenona-2,4-dien-3-amine is C=C(CCC)/C(=C\C(N)=C/C)OC.
What is the InChIKey of (2E,4E)-5-methoxy-6-methylidenenona-2,4-dien-3-amine?
The InChIKey is SXBIHHGEKVZOOJ-NSJFVGFPSA-N. The full InChI is InChI=1S/C11H19NO/c1-5-7-9(3)11(13-4)8-10(12)6-2/h6,8H,3,5,7,12H2,1-2,4H3/b10-6+,11-8+.
What are the key properties of (2E,4E)-5-methoxy-6-methylidenenona-2,4-dien-3-amine?
(2E,4E)-5-methoxy-6-methylidenenona-2,4-dien-3-amine has a molecular weight of 181.28 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-methoxy-6-methylidenenona-2,4-dien-3-amine is sourced from PubChem (CID 144560026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).