1-amino-2-(3-ethoxypropyl)-3-(6-methyl-3-pyridinyl)guanidine

C12H21N5O — CID 116516053

IUPAC1-amino-2-(3-ethoxypropyl)-3-(6-methyl-3-pyridinyl)guanidine
SMILESCCOCCC/N=C(\NN)Nc1ccc(C)nc1
InChIInChI=1S/C12H21N5O/c1-3-18-8-4-7-14-12(17-13)16-11-6-5-10(2)15-9-11/h5-6,9H,3-4,7-8,13H2,1-2H3,(H2,14,16,17)
InChIKeyDIZRMPKXOSWJCL-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.05
Rot. Bonds6

About 1-amino-2-(3-ethoxypropyl)-3-(6-methyl-3-pyridinyl)guanidine

1-amino-2-(3-ethoxypropyl)-3-(6-methyl-3-pyridinyl)guanidine (PubChem CID 116516053) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-amino-2-(3-ethoxypropyl)-3-(6-methyl-3-pyridinyl)guanidine.

Molecular Properties

Compound Name1-amino-2-(3-ethoxypropyl)-3-(6-methyl-3-pyridinyl)guanidine
PubChem CID116516053
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name1-amino-2-(3-ethoxypropyl)-3-(6-methyl-3-pyridinyl)guanidine
SMILESCCOCCC/N=C(\NN)Nc1ccc(C)nc1
InChIInChI=1S/C12H21N5O/c1-3-18-8-4-7-14-12(17-13)16-11-6-5-10(2)15-9-11/h5-6,9H,3-4,7-8,13H2,1-2H3,(H2,14,16,17)
InChIKeyDIZRMPKXOSWJCL-UHFFFAOYSA-N
XLogP1.05
TPSA84.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.05
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-(3-ethoxypropyl)-3-(6-methyl-3-pyridinyl)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

1-amino-2-(3-ethoxypropyl)-3-pyridin-3-ylguanidine
CID 116511413
1-amino-3-(3,4-dimethylphenyl)-2-(3-ethoxypropyl)guanidine
CID 116512602
1-amino-2-(3-ethoxypropyl)-3-(4-propoxyphenyl)guanidine
CID 116513647
1-amino-2-butyl-3-(6-ethoxy-3-pyridinyl)guanidine
CID 116515880
1-amino-3-(3,5-difluorophenyl)-2-(3-ethoxypropyl)guanidine
CID 116512516
1-amino-3-(2,6-dimethylphenyl)-2-(3-ethoxypropyl)guanidine
CID 116512527
1-amino-3-(3-chloro-4-fluorophenyl)-2-(3-ethoxypropyl)guanidine
CID 116511292
1-amino-2-(3-ethoxypropyl)-3-(2,4,6-trichlorophenyl)guanidine
CID 104882713
1-amino-3-(2-bromo-4,6-dimethylphenyl)-2-(3-ethoxypropyl)guanidine
CID 104887695
1-amino-3-(3-ethoxypropyl)-2-(3-phenoxypropyl)guanidine
CID 116513377
1-amino-2-(3-methoxypropyl)-3-pyrimidin-5-ylguanidine
CID 107590564
1-amino-2-(3-ethoxypropyl)-3-[1-(4-fluorophenyl)ethyl]guanidine
CID 116513978

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(3-ethoxypropyl)-3-(6-methyl-3-pyridinyl)guanidine?
The IUPAC name of 1-amino-2-(3-ethoxypropyl)-3-(6-methyl-3-pyridinyl)guanidine (CID 116516053) is 1-amino-2-(3-ethoxypropyl)-3-(6-methyl-3-pyridinyl)guanidine.
What is the SMILES notation for 1-amino-2-(3-ethoxypropyl)-3-(6-methyl-3-pyridinyl)guanidine?
The canonical SMILES for 1-amino-2-(3-ethoxypropyl)-3-(6-methyl-3-pyridinyl)guanidine is CCOCCC/N=C(\NN)Nc1ccc(C)nc1.
What is the InChIKey of 1-amino-2-(3-ethoxypropyl)-3-(6-methyl-3-pyridinyl)guanidine?
The InChIKey is DIZRMPKXOSWJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-3-18-8-4-7-14-12(17-13)16-11-6-5-10(2)15-9-11/h5-6,9H,3-4,7-8,13H2,1-2H3,(H2,14,16,17).
What are the key properties of 1-amino-2-(3-ethoxypropyl)-3-(6-methyl-3-pyridinyl)guanidine?
1-amino-2-(3-ethoxypropyl)-3-(6-methyl-3-pyridinyl)guanidine has a molecular weight of 251.33 g/mol, XLogP of 1.05, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(3-ethoxypropyl)-3-(6-methyl-3-pyridinyl)guanidine is sourced from PubChem (CID 116516053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).