1-amino-2-(2-methoxyethyl)-3-(1-pyridin-2-ylethyl)guanidine

C11H19N5O — CID 116513293

IUPAC1-amino-2-(2-methoxyethyl)-3-(1-pyridin-2-ylethyl)guanidine
SMILESCOCC/N=C(\NN)NC(C)c1ccccn1
InChIInChI=1S/C11H19N5O/c1-9(10-5-3-4-6-13-10)15-11(16-12)14-7-8-17-2/h3-6,9H,7-8,12H2,1-2H3,(H2,14,15,16)
InChIKeyXOQNDGSFVFDMPH-UHFFFAOYSA-N
MW237.31 g/mol
LogP0.20
Rot. Bonds5

About 1-amino-2-(2-methoxyethyl)-3-(1-pyridin-2-ylethyl)guanidine

1-amino-2-(2-methoxyethyl)-3-(1-pyridin-2-ylethyl)guanidine (PubChem CID 116513293) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 1-amino-2-(2-methoxyethyl)-3-(1-pyridin-2-ylethyl)guanidine.

Molecular Properties

Compound Name1-amino-2-(2-methoxyethyl)-3-(1-pyridin-2-ylethyl)guanidine
PubChem CID116513293
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name1-amino-2-(2-methoxyethyl)-3-(1-pyridin-2-ylethyl)guanidine
SMILESCOCC/N=C(\NN)NC(C)c1ccccn1
InChIInChI=1S/C11H19N5O/c1-9(10-5-3-4-6-13-10)15-11(16-12)14-7-8-17-2/h3-6,9H,7-8,12H2,1-2H3,(H2,14,15,16)
InChIKeyXOQNDGSFVFDMPH-UHFFFAOYSA-N
XLogP0.20
TPSA84.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 1-amino-2-(2-methoxyethyl)-3-(1-pyridin-2-ylethyl)guanidine 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

2-amino-5-methoxy-N-(1-pyridin-2-ylethyl)pentanamide
CID 81081653
2-methoxy-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 81407538
1-amino-2-(3-methoxypropyl)-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]guanidine
CID 106283168
4-methoxy-N-[(1S)-1-pyridin-2-ylethyl]butan-1-amine
CID 104647537
2-hydroxyethyl N-[(1R)-1-pyridin-2-ylethyl]carbamate
CID 81406872
4-methoxy-2-(1-pyridin-2-ylethylcarbamoylamino)butanoic acid
CID 62480587
1-amino-3-(3-ethylpentan-2-yl)-2-(2-methoxyethyl)guanidine
CID 104886038
2-bromo-N-[(1S)-1-pyridin-2-ylethyl]acetamide
CID 81401514
4-amino-N-[(1S)-1-pyridin-2-ylethyl]benzamide
CID 81407597
N-[(1R)-1-pyridin-2-ylethyl]propanamide
CID 59509331
1-[2-(3-methoxypropoxy)phenyl]-3-[(1S)-1-pyridin-2-ylethyl]urea
CID 94550940
4-methoxy-3-(1-pyridin-2-ylethylamino)butan-1-ol
CID 115872140

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(2-methoxyethyl)-3-(1-pyridin-2-ylethyl)guanidine?
The IUPAC name of 1-amino-2-(2-methoxyethyl)-3-(1-pyridin-2-ylethyl)guanidine (CID 116513293) is 1-amino-2-(2-methoxyethyl)-3-(1-pyridin-2-ylethyl)guanidine.
What is the SMILES notation for 1-amino-2-(2-methoxyethyl)-3-(1-pyridin-2-ylethyl)guanidine?
The canonical SMILES for 1-amino-2-(2-methoxyethyl)-3-(1-pyridin-2-ylethyl)guanidine is COCC/N=C(\NN)NC(C)c1ccccn1.
What is the InChIKey of 1-amino-2-(2-methoxyethyl)-3-(1-pyridin-2-ylethyl)guanidine?
The InChIKey is XOQNDGSFVFDMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-9(10-5-3-4-6-13-10)15-11(16-12)14-7-8-17-2/h3-6,9H,7-8,12H2,1-2H3,(H2,14,15,16).
What are the key properties of 1-amino-2-(2-methoxyethyl)-3-(1-pyridin-2-ylethyl)guanidine?
1-amino-2-(2-methoxyethyl)-3-(1-pyridin-2-ylethyl)guanidine has a molecular weight of 237.31 g/mol, XLogP of 0.20, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(2-methoxyethyl)-3-(1-pyridin-2-ylethyl)guanidine is sourced from PubChem (CID 116513293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).