3-amino-1-ethyl-2-(3-methoxypropyl)-1-methylguanidine

C8H20N4O — CID 104883509

IUPAC3-amino-1-ethyl-2-(3-methoxypropyl)-1-methylguanidine
SMILESCCN(C)/C(=N\CCCOC)NN
InChIInChI=1S/C8H20N4O/c1-4-12(2)8(11-9)10-6-5-7-13-3/h4-7,9H2,1-3H3,(H,10,11)
InChIKeyPXRHIYJUYOWVLC-UHFFFAOYSA-N
MW188.27 g/mol
LogP-0.21
Rot. Bonds5

About 3-amino-1-ethyl-2-(3-methoxypropyl)-1-methylguanidine

3-amino-1-ethyl-2-(3-methoxypropyl)-1-methylguanidine (PubChem CID 104883509) has the molecular formula C8H20N4O and a molecular weight of 188.27 g/mol. Its IUPAC name is 3-amino-1-ethyl-2-(3-methoxypropyl)-1-methylguanidine.

Molecular Properties

Compound Name3-amino-1-ethyl-2-(3-methoxypropyl)-1-methylguanidine
PubChem CID104883509
Molecular FormulaC8H20N4O
Molecular Weight188.27 g/mol
Exact Mass188.16
IUPAC Name3-amino-1-ethyl-2-(3-methoxypropyl)-1-methylguanidine
SMILESCCN(C)/C(=N\CCCOC)NN
InChIInChI=1S/C8H20N4O/c1-4-12(2)8(11-9)10-6-5-7-13-3/h4-7,9H2,1-3H3,(H,10,11)
InChIKeyPXRHIYJUYOWVLC-UHFFFAOYSA-N
XLogP-0.21
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-amino-1-ethyl-2-(3-methoxypropyl)-1-methylguanidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-ethyl-2-(3-methoxypropyl)-1-methylguanidine?
The IUPAC name of 3-amino-1-ethyl-2-(3-methoxypropyl)-1-methylguanidine (CID 104883509) is 3-amino-1-ethyl-2-(3-methoxypropyl)-1-methylguanidine.
What is the SMILES notation for 3-amino-1-ethyl-2-(3-methoxypropyl)-1-methylguanidine?
The canonical SMILES for 3-amino-1-ethyl-2-(3-methoxypropyl)-1-methylguanidine is CCN(C)/C(=N\CCCOC)NN.
What is the InChIKey of 3-amino-1-ethyl-2-(3-methoxypropyl)-1-methylguanidine?
The InChIKey is PXRHIYJUYOWVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N4O/c1-4-12(2)8(11-9)10-6-5-7-13-3/h4-7,9H2,1-3H3,(H,10,11).
What are the key properties of 3-amino-1-ethyl-2-(3-methoxypropyl)-1-methylguanidine?
3-amino-1-ethyl-2-(3-methoxypropyl)-1-methylguanidine has a molecular weight of 188.27 g/mol, XLogP of -0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-ethyl-2-(3-methoxypropyl)-1-methylguanidine is sourced from PubChem (CID 104883509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).