(2E,4E)-4-methoxyhexa-2,4-dien-3-amine

C7H13NO — CID 142167564

IUPAC(2E,4E)-4-methoxyhexa-2,4-dien-3-amine
SMILESC/C=C(N)\C(=C/C)OC
InChIInChI=1S/C7H13NO/c1-4-6(8)7(5-2)9-3/h4-5H,8H2,1-3H3/b6-4+,7-5+
InChIKeyBHRABPJFPIJDQU-YDFGWWAZSA-N
MW127.19 g/mol
LogP1.40
Rot. Bonds2

About (2E,4E)-4-methoxyhexa-2,4-dien-3-amine

(2E,4E)-4-methoxyhexa-2,4-dien-3-amine (PubChem CID 142167564) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (2E,4E)-4-methoxyhexa-2,4-dien-3-amine.

Molecular Properties

Compound Name(2E,4E)-4-methoxyhexa-2,4-dien-3-amine
PubChem CID142167564
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(2E,4E)-4-methoxyhexa-2,4-dien-3-amine
SMILESC/C=C(N)\C(=C/C)OC
InChIInChI=1S/C7H13NO/c1-4-6(8)7(5-2)9-3/h4-5H,8H2,1-3H3/b6-4+,7-5+
InChIKeyBHRABPJFPIJDQU-YDFGWWAZSA-N
XLogP1.40
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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 (2E,4E)-4-methoxyhexa-2,4-dien-3-amine?
The IUPAC name of (2E,4E)-4-methoxyhexa-2,4-dien-3-amine (CID 142167564) is (2E,4E)-4-methoxyhexa-2,4-dien-3-amine.
What is the SMILES notation for (2E,4E)-4-methoxyhexa-2,4-dien-3-amine?
The canonical SMILES for (2E,4E)-4-methoxyhexa-2,4-dien-3-amine is C/C=C(N)\C(=C/C)OC.
What is the InChIKey of (2E,4E)-4-methoxyhexa-2,4-dien-3-amine?
The InChIKey is BHRABPJFPIJDQU-YDFGWWAZSA-N. The full InChI is InChI=1S/C7H13NO/c1-4-6(8)7(5-2)9-3/h4-5H,8H2,1-3H3/b6-4+,7-5+.
What are the key properties of (2E,4E)-4-methoxyhexa-2,4-dien-3-amine?
(2E,4E)-4-methoxyhexa-2,4-dien-3-amine has a molecular weight of 127.19 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-4-methoxyhexa-2,4-dien-3-amine is sourced from PubChem (CID 142167564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).