methanidyl-(2-methoxyethyl)-prop-2-enylazanium

C7H15NO — CID 155624867

IUPACmethanidyl-(2-methoxyethyl)-prop-2-enylazanium
SMILESC=CC[NH+]([CH2-])CCOC
InChIInChI=1S/C7H15NO/c1-4-5-8(2)6-7-9-3/h4,8H,1-2,5-7H2,3H3
InChIKeyRFHDMOABGVUNFR-UHFFFAOYSA-N
MW129.20 g/mol
LogP-0.50
Rot. Bonds5

About methanidyl-(2-methoxyethyl)-prop-2-enylazanium

methanidyl-(2-methoxyethyl)-prop-2-enylazanium (PubChem CID 155624867) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is methanidyl-(2-methoxyethyl)-prop-2-enylazanium.

Molecular Properties

Compound Namemethanidyl-(2-methoxyethyl)-prop-2-enylazanium
PubChem CID155624867
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Namemethanidyl-(2-methoxyethyl)-prop-2-enylazanium
SMILESC=CC[NH+]([CH2-])CCOC
InChIInChI=1S/C7H15NO/c1-4-5-8(2)6-7-9-3/h4,8H,1-2,5-7H2,3H3
InChIKeyRFHDMOABGVUNFR-UHFFFAOYSA-N
XLogP-0.50
TPSA13.67 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methanidyl-(2-methoxyethyl)-prop-2-enylazanium?
The IUPAC name of methanidyl-(2-methoxyethyl)-prop-2-enylazanium (CID 155624867) is methanidyl-(2-methoxyethyl)-prop-2-enylazanium.
What is the SMILES notation for methanidyl-(2-methoxyethyl)-prop-2-enylazanium?
The canonical SMILES for methanidyl-(2-methoxyethyl)-prop-2-enylazanium is C=CC[NH+]([CH2-])CCOC.
What is the InChIKey of methanidyl-(2-methoxyethyl)-prop-2-enylazanium?
The InChIKey is RFHDMOABGVUNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-4-5-8(2)6-7-9-3/h4,8H,1-2,5-7H2,3H3.
What are the key properties of methanidyl-(2-methoxyethyl)-prop-2-enylazanium?
methanidyl-(2-methoxyethyl)-prop-2-enylazanium has a molecular weight of 129.20 g/mol, XLogP of -0.50, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methanidyl-(2-methoxyethyl)-prop-2-enylazanium is sourced from PubChem (CID 155624867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).