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

C8H15NO — CID 144501893

IUPAC(4E)-5-methoxy-2-methylhexa-2,4-dien-3-amine
SMILESCO/C(C)=C/C(N)=C(C)C
InChIInChI=1S/C8H15NO/c1-6(2)8(9)5-7(3)10-4/h5H,9H2,1-4H3/b7-5+
InChIKeyUDGATEJOIWCCFU-FNORWQNLSA-N
MW141.21 g/mol
LogP1.79
Rot. Bonds2

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

(4E)-5-methoxy-2-methylhexa-2,4-dien-3-amine (PubChem CID 144501893) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (4E)-5-methoxy-2-methylhexa-2,4-dien-3-amine.

Molecular Properties

Compound Name(4E)-5-methoxy-2-methylhexa-2,4-dien-3-amine
PubChem CID144501893
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(4E)-5-methoxy-2-methylhexa-2,4-dien-3-amine
SMILESCO/C(C)=C/C(N)=C(C)C
InChIInChI=1S/C8H15NO/c1-6(2)8(9)5-7(3)10-4/h5H,9H2,1-4H3/b7-5+
InChIKeyUDGATEJOIWCCFU-FNORWQNLSA-N
XLogP1.79
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.79
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

(2Z,4E)-6,6,6-trifluoro-2-methoxy-5-methylhexa-2,4-dien-3-amine
CID 134250263
(2Z,4E)-3-fluoro-5-methoxyhexa-2,4-dien-2-amine
CID 156566216
(3E)-5-methoxy-6-methylhepta-1,3,5-trien-3-amine
CID 88235023
(1E,3E,5Z)-1-methoxyhepta-1,3,5-trien-3-amine
CID 88590096
(3E,5E)-6-methoxyhepta-1,3,5-trien-3-amine
CID 88997185
(2E,4E)-5-methoxyhexa-2,4-dien-2-amine
CID 130240317
(2Z,4Z)-2-methoxy-5,6-dimethylhepta-2,4,6-trien-3-amine
CID 134176903
(2Z)-3-amino-5-methylhexa-2,4-dien-2-ol
CID 138597164
(1E,3E,5E)-1,6-dimethoxyhepta-1,3,5-trien-3-amine
CID 138710975
(2Z,4Z)-2-methoxyhepta-2,4,6-trien-3-amine
CID 139425595
(1Z,3Z)-1-methoxy-4-methylhexa-1,3,5-trien-2-amine
CID 141786537
ethane;(2Z,4Z)-2-methoxyhexa-2,4-dien-3-amine
CID 141984523

Frequently Asked Questions

What is the IUPAC name of (4E)-5-methoxy-2-methylhexa-2,4-dien-3-amine?
The IUPAC name of (4E)-5-methoxy-2-methylhexa-2,4-dien-3-amine (CID 144501893) is (4E)-5-methoxy-2-methylhexa-2,4-dien-3-amine.
What is the SMILES notation for (4E)-5-methoxy-2-methylhexa-2,4-dien-3-amine?
The canonical SMILES for (4E)-5-methoxy-2-methylhexa-2,4-dien-3-amine is CO/C(C)=C/C(N)=C(C)C.
What is the InChIKey of (4E)-5-methoxy-2-methylhexa-2,4-dien-3-amine?
The InChIKey is UDGATEJOIWCCFU-FNORWQNLSA-N. The full InChI is InChI=1S/C8H15NO/c1-6(2)8(9)5-7(3)10-4/h5H,9H2,1-4H3/b7-5+.
What are the key properties of (4E)-5-methoxy-2-methylhexa-2,4-dien-3-amine?
(4E)-5-methoxy-2-methylhexa-2,4-dien-3-amine has a molecular weight of 141.21 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-5-methoxy-2-methylhexa-2,4-dien-3-amine is sourced from PubChem (CID 144501893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).