(2E,4E)-5-methoxyhepta-2,4-dien-2-amine

C8H15NO — CID 142597245

IUPAC(2E,4E)-5-methoxyhepta-2,4-dien-2-amine
SMILESCC/C(=C\C=C(/C)N)OC
InChIInChI=1S/C8H15NO/c1-4-8(10-3)6-5-7(2)9/h5-6H,4,9H2,1-3H3/b7-5+,8-6+
InChIKeyXSYSARFMOMKPDN-KQQUZDAGSA-N
MW141.21 g/mol
LogP1.79
Rot. Bonds3

About (2E,4E)-5-methoxyhepta-2,4-dien-2-amine

(2E,4E)-5-methoxyhepta-2,4-dien-2-amine (PubChem CID 142597245) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (2E,4E)-5-methoxyhepta-2,4-dien-2-amine.

Molecular Properties

Compound Name(2E,4E)-5-methoxyhepta-2,4-dien-2-amine
PubChem CID142597245
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(2E,4E)-5-methoxyhepta-2,4-dien-2-amine
SMILESCC/C(=C\C=C(/C)N)OC
InChIInChI=1S/C8H15NO/c1-4-8(10-3)6-5-7(2)9/h5-6H,4,9H2,1-3H3/b7-5+,8-6+
InChIKeyXSYSARFMOMKPDN-KQQUZDAGSA-N
XLogP1.79
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

(3E,5E)-1-fluoro-6-methoxyhexa-3,5-dien-3-amine
CID 89074002
(3E,6E)-4-fluoro-6-methoxynona-1,3,6-trien-2-amine
CID 138711458
(3E,5E)-6-(trifluoromethoxy)hepta-3,5-dien-3-amine
CID 142164428
5-Methoxy-4-methylcyclohexa-1,5-dien-1-amine
CID 70314240
(3Z,5E)-6-methoxy-2-methylocta-3,5,7-trien-3-amine
CID 88936644
(3E,5E)-6-methoxyhepta-1,3,5-trien-3-amine
CID 88997185
(3E,5E)-6-methoxyhexa-3,5-dien-3-amine
CID 89073724
4-Methoxycyclohexa-1,3-dien-1-amine
CID 89153986
(3E,5Z,7E)-5-methoxy-6,7-dimethylnona-3,5,7-trien-3-amine
CID 89240453
4-Propoxycyclohexa-1,3-dien-1-amine
CID 89431124
(2E,4E)-5-methoxyhexa-2,4-dien-2-amine
CID 130240317
(Z)-3-methyl-1-[(Z)-4-methylpent-2-en-3-yl]oxybut-1-en-2-amine
CID 132155969

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-5-methoxyhepta-2,4-dien-2-amine?
The IUPAC name of (2E,4E)-5-methoxyhepta-2,4-dien-2-amine (CID 142597245) is (2E,4E)-5-methoxyhepta-2,4-dien-2-amine.
What is the SMILES notation for (2E,4E)-5-methoxyhepta-2,4-dien-2-amine?
The canonical SMILES for (2E,4E)-5-methoxyhepta-2,4-dien-2-amine is CC/C(=C\C=C(/C)N)OC.
What is the InChIKey of (2E,4E)-5-methoxyhepta-2,4-dien-2-amine?
The InChIKey is XSYSARFMOMKPDN-KQQUZDAGSA-N. The full InChI is InChI=1S/C8H15NO/c1-4-8(10-3)6-5-7(2)9/h5-6H,4,9H2,1-3H3/b7-5+,8-6+.
What are the key properties of (2E,4E)-5-methoxyhepta-2,4-dien-2-amine?
(2E,4E)-5-methoxyhepta-2,4-dien-2-amine has a molecular weight of 141.21 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-methoxyhepta-2,4-dien-2-amine is sourced from PubChem (CID 142597245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).