(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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Related Compounds

(3E,5E)-1-fluoro-6-methoxyhexa-3,5-dien-3-amine
CID 89074002
3-ethyl-2H-oxazine
CID 70017215
(1E,3E,5Z)-1-methoxyhepta-1,3,5-trien-3-amine
CID 88590096
(3E)-6-methoxyhepta-1,3,6-trien-4-amine
CID 134484577
(3E)-4-methoxyhexa-1,3-dien-2-amine
CID 139378141
(1Z,3Z)-1-methoxy-4-methylhexa-1,3,5-trien-2-amine
CID 141786537
Ethane;molecular hydrogen;4-propoxycyclohepta-1,3,6-trien-1-amine
CID 141975281
4-Methoxycyclohepta-1,3,6-trien-1-amine
CID 142264180
(2E,4E)-5-methoxyhepta-2,4-dien-2-amine
CID 142597245
(E)-1-methoxyprop-1-en-2-amine;(E)-pent-2-en-2-amine
CID 143815677
(2E,4Z,6Z)-5-ethenylocta-2,4,6-trien-2-amine;methoxyethane
CID 144102028
(3Z,5Z)-6-ethoxyhexa-1,3,5-trien-2-amine
CID 145478870

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).