(3E,5E)-6-methoxyhexa-3,5-dien-3-amine

C7H13NO — CID 89073724

IUPAC(3E,5E)-6-methoxyhexa-3,5-dien-3-amine
SMILESCC/C(N)=C\C=C\OC
InChIInChI=1S/C7H13NO/c1-3-7(8)5-4-6-9-2/h4-6H,3,8H2,1-2H3/b6-4+,7-5+
InChIKeyXUWCYEGPBGGFTG-YDFGWWAZSA-N
MW127.19 g/mol
LogP1.40
Rot. Bonds3

About (3E,5E)-6-methoxyhexa-3,5-dien-3-amine

(3E,5E)-6-methoxyhexa-3,5-dien-3-amine (PubChem CID 89073724) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (3E,5E)-6-methoxyhexa-3,5-dien-3-amine.

Molecular Properties

Compound Name(3E,5E)-6-methoxyhexa-3,5-dien-3-amine
PubChem CID89073724
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(3E,5E)-6-methoxyhexa-3,5-dien-3-amine
SMILESCC/C(N)=C\C=C\OC
InChIInChI=1S/C7H13NO/c1-3-7(8)5-4-6-9-2/h4-6H,3,8H2,1-2H3/b6-4+,7-5+
InChIKeyXUWCYEGPBGGFTG-YDFGWWAZSA-N
XLogP1.40
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.40
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 (3E,5E)-6-methoxyhexa-3,5-dien-3-amine?
The IUPAC name of (3E,5E)-6-methoxyhexa-3,5-dien-3-amine (CID 89073724) is (3E,5E)-6-methoxyhexa-3,5-dien-3-amine.
What is the SMILES notation for (3E,5E)-6-methoxyhexa-3,5-dien-3-amine?
The canonical SMILES for (3E,5E)-6-methoxyhexa-3,5-dien-3-amine is CC/C(N)=C\C=C\OC.
What is the InChIKey of (3E,5E)-6-methoxyhexa-3,5-dien-3-amine?
The InChIKey is XUWCYEGPBGGFTG-YDFGWWAZSA-N. The full InChI is InChI=1S/C7H13NO/c1-3-7(8)5-4-6-9-2/h4-6H,3,8H2,1-2H3/b6-4+,7-5+.
What are the key properties of (3E,5E)-6-methoxyhexa-3,5-dien-3-amine?
(3E,5E)-6-methoxyhexa-3,5-dien-3-amine has a molecular weight of 127.19 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-6-methoxyhexa-3,5-dien-3-amine is sourced from PubChem (CID 89073724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).