3-ethoxypropyl-methanidyl-dimethylazanium

C8H19NO — CID 59940641

IUPAC3-ethoxypropyl-methanidyl-dimethylazanium
SMILES[CH2-][N+](C)(C)CCCOCC
InChIInChI=1S/C8H19NO/c1-5-10-8-6-7-9(2,3)4/h2,5-8H2,1,3-4H3
InChIKeyWGJGKCXYMUGYCN-UHFFFAOYSA-N
MW145.25 g/mol
LogP1.28
Rot. Bonds5

About 3-ethoxypropyl-methanidyl-dimethylazanium

3-ethoxypropyl-methanidyl-dimethylazanium (PubChem CID 59940641) has the molecular formula C8H19NO and a molecular weight of 145.25 g/mol. Its IUPAC name is 3-ethoxypropyl-methanidyl-dimethylazanium.

Molecular Properties

Compound Name3-ethoxypropyl-methanidyl-dimethylazanium
PubChem CID59940641
Molecular FormulaC8H19NO
Molecular Weight145.25 g/mol
Exact Mass145.15
IUPAC Name3-ethoxypropyl-methanidyl-dimethylazanium
SMILES[CH2-][N+](C)(C)CCCOCC
InChIInChI=1S/C8H19NO/c1-5-10-8-6-7-9(2,3)4/h2,5-8H2,1,3-4H3
InChIKeyWGJGKCXYMUGYCN-UHFFFAOYSA-N
XLogP1.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.25
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 3-ethoxypropyl-methanidyl-dimethylazanium 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

3-methoxy-N,N-dimethylpropan-1-amine
CID 547431
Ammonium, oxybis(trimethylene)bis(trimethyl-, diiodide
CID 46899
1-Propanamine, 3-(2-(dimethylamino)ethoxy)-N,N-dimethyl-
CID 118728
1-Propanamine, 3,3'-oxybis[N,N-dimethyl-
CID 12295923
3-Ethoxy-N,N-dimethylpropylamine
CID 91374
1-methoxy-N,N-dimethylpropan-1-amine
CID 22062441
N,N-bis(ethoxymethyl)propan-1-amine
CID 91453246
Triethyl-[3-[3-(triethylazaniumyl)propoxy]propyl]azanium
CID 46898
Trimethyl-[3-[3-(trimethylazaniumyl)propoxy]propyl]azanium
CID 46900
3-ethoxy-N-(2-fluoroethyl)-N-methylpropan-1-amine
CID 90453703
3-ethoxy-N-(1-fluoroethyl)-N-(1-methoxyethyl)propan-1-amine
CID 155307656
Fluoromethyl-(3-methoxypropyl)-dimethylazanium
CID 176706226

Frequently Asked Questions

What is the IUPAC name of 3-ethoxypropyl-methanidyl-dimethylazanium?
The IUPAC name of 3-ethoxypropyl-methanidyl-dimethylazanium (CID 59940641) is 3-ethoxypropyl-methanidyl-dimethylazanium.
What is the SMILES notation for 3-ethoxypropyl-methanidyl-dimethylazanium?
The canonical SMILES for 3-ethoxypropyl-methanidyl-dimethylazanium is [CH2-][N+](C)(C)CCCOCC.
What is the InChIKey of 3-ethoxypropyl-methanidyl-dimethylazanium?
The InChIKey is WGJGKCXYMUGYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO/c1-5-10-8-6-7-9(2,3)4/h2,5-8H2,1,3-4H3.
What are the key properties of 3-ethoxypropyl-methanidyl-dimethylazanium?
3-ethoxypropyl-methanidyl-dimethylazanium has a molecular weight of 145.25 g/mol, XLogP of 1.28, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxypropyl-methanidyl-dimethylazanium is sourced from PubChem (CID 59940641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).