[(2Z,4Z)-hepta-2,4-dien-2-yl]-methoxyazanium

C8H16NO+ — CID 142322439

IUPAC[(2Z,4Z)-hepta-2,4-dien-2-yl]-methoxyazanium
SMILESCC/C=C\C=C(\C)[NH2+]OC
InChIInChI=1S/C8H15NO/c1-4-5-6-7-8(2)9-10-3/h5-7,9H,4H2,1-3H3/p+1/b6-5-,8-7-
InChIKeySTEKDHIOHYSVLL-ISTTXYCBSA-O
MW142.22 g/mol
LogP0.98
Rot. Bonds4

About [(2Z,4Z)-hepta-2,4-dien-2-yl]-methoxyazanium

[(2Z,4Z)-hepta-2,4-dien-2-yl]-methoxyazanium (PubChem CID 142322439) has the molecular formula C8H16NO+ and a molecular weight of 142.22 g/mol. Its IUPAC name is [(2Z,4Z)-hepta-2,4-dien-2-yl]-methoxyazanium.

Molecular Properties

Compound Name[(2Z,4Z)-hepta-2,4-dien-2-yl]-methoxyazanium
PubChem CID142322439
Molecular FormulaC8H16NO+
Molecular Weight142.22 g/mol
Exact Mass142.12
IUPAC Name[(2Z,4Z)-hepta-2,4-dien-2-yl]-methoxyazanium
SMILESCC/C=C\C=C(\C)[NH2+]OC
InChIInChI=1S/C8H15NO/c1-4-5-6-7-8(2)9-10-3/h5-7,9H,4H2,1-3H3/p+1/b6-5-,8-7-
InChIKeySTEKDHIOHYSVLL-ISTTXYCBSA-O
XLogP0.98
TPSA25.84 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.22
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze [(2Z,4Z)-hepta-2,4-dien-2-yl]-methoxyazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1Z,3Z)-1-cyanohexa-1,3-dienyl]-methoxyazanium
CID 143189899
ethane;(2E,4Z)-hepta-2,4-dien-2-ol
CID 142115176
(2E,4E)-2-methylhepta-2,4-dien-1-ol
CID 173250100
(2E)-1-methoxyhepta-2,4-dien-2-amine
CID 178080633
(2E,4Z)-2-methylhepta-2,4-diene-1-thiol
CID 145391343
(2Z,4Z)-N-methylhepta-2,4-dien-2-amine
CID 89431682
(5E)-octa-3,5-diene
CID 173104147
(2E,4Z)-N-ethylhepta-2,4-dien-2-amine
CID 166776251
(2E,4Z)-2-methylhepta-2,4-dienamide
CID 143129883
4-methylnona-4,6-dien-3-ol
CID 90740001
(2E,4Z)-1-amino-2-methylhepta-2,4-dien-1-ol
CID 163982381
1-methoxydodeca-1,3,5,7,9-pentaene
CID 71335564

Frequently Asked Questions

What is the IUPAC name of [(2Z,4Z)-hepta-2,4-dien-2-yl]-methoxyazanium?
The IUPAC name of [(2Z,4Z)-hepta-2,4-dien-2-yl]-methoxyazanium (CID 142322439) is [(2Z,4Z)-hepta-2,4-dien-2-yl]-methoxyazanium.
What is the SMILES notation for [(2Z,4Z)-hepta-2,4-dien-2-yl]-methoxyazanium?
The canonical SMILES for [(2Z,4Z)-hepta-2,4-dien-2-yl]-methoxyazanium is CC/C=C\C=C(\C)[NH2+]OC.
What is the InChIKey of [(2Z,4Z)-hepta-2,4-dien-2-yl]-methoxyazanium?
The InChIKey is STEKDHIOHYSVLL-ISTTXYCBSA-O. The full InChI is InChI=1S/C8H15NO/c1-4-5-6-7-8(2)9-10-3/h5-7,9H,4H2,1-3H3/p+1/b6-5-,8-7-.
What are the key properties of [(2Z,4Z)-hepta-2,4-dien-2-yl]-methoxyazanium?
[(2Z,4Z)-hepta-2,4-dien-2-yl]-methoxyazanium has a molecular weight of 142.22 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z,4Z)-hepta-2,4-dien-2-yl]-methoxyazanium is sourced from PubChem (CID 142322439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).