1-amino-2-(3-cyclopentylpropyl)-3-(2-methoxyethyl)guanidine

C12H26N4O — CID 106013168

IUPAC1-amino-2-(3-cyclopentylpropyl)-3-(2-methoxyethyl)guanidine
SMILESCOCCN/C(=N\CCCC1CCCC1)NN
InChIInChI=1S/C12H26N4O/c1-17-10-9-15-12(16-13)14-8-4-7-11-5-2-3-6-11/h11H,2-10,13H2,1H3,(H2,14,15,16)
InChIKeyMWHQFWUVQJKVGS-UHFFFAOYSA-N
MW242.37 g/mol
LogP1.01
Rot. Bonds7

About 1-amino-2-(3-cyclopentylpropyl)-3-(2-methoxyethyl)guanidine

1-amino-2-(3-cyclopentylpropyl)-3-(2-methoxyethyl)guanidine (PubChem CID 106013168) has the molecular formula C12H26N4O and a molecular weight of 242.37 g/mol. Its IUPAC name is 1-amino-2-(3-cyclopentylpropyl)-3-(2-methoxyethyl)guanidine.

Molecular Properties

Compound Name1-amino-2-(3-cyclopentylpropyl)-3-(2-methoxyethyl)guanidine
PubChem CID106013168
Molecular FormulaC12H26N4O
Molecular Weight242.37 g/mol
Exact Mass242.21
IUPAC Name1-amino-2-(3-cyclopentylpropyl)-3-(2-methoxyethyl)guanidine
SMILESCOCCN/C(=N\CCCC1CCCC1)NN
InChIInChI=1S/C12H26N4O/c1-17-10-9-15-12(16-13)14-8-4-7-11-5-2-3-6-11/h11H,2-10,13H2,1H3,(H2,14,15,16)
InChIKeyMWHQFWUVQJKVGS-UHFFFAOYSA-N
XLogP1.01
TPSA71.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 51.01
H-Bond Donors ≤ 53
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 1-amino-2-(3-cyclopentylpropyl)-3-(2-methoxyethyl)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-3-(2-cyclobutylethyl)-2-(3-methoxypropyl)guanidine
CID 104888654
2-(3-cyclopentylpropyl)-1-ethyl-3-[4-(2-methoxyethoxy)butyl]guanidine
CID 111946727
2-(3-cyclopentylpropyl)-1-ethyl-3-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine;hydroiodide
CID 111946828
2-(4-cyclopentylbutyl)-1-ethyl-3-[2-(2-methoxyethoxy)ethyl]guanidine;hydroiodide
CID 111609003
1-amino-3-(2-methoxyethyl)-2-(4-methylpentyl)guanidine
CID 104885989
1-amino-2-(3-cyclopentylpropyl)-3-cyclopropylguanidine
CID 106013169
1-amino-3-(2-methoxyethyl)-2-(4-methylsulfanylbutyl)guanidine
CID 104888522
2-[[N-amino-N'-(3-methoxypropyl)carbamimidoyl]amino]ethyl carbamate
CID 104888085
1-amino-3-(2-cyclopentyloxyethyl)-2-propylguanidine
CID 104886332
1-(3-cyclopentylpropyl)-3-[2-(2-methoxyethoxy)ethyl]-2-methylguanidine;hydroiodide
CID 111946436
1-amino-3-(2-methoxyethyl)-2-(3-phenylpropyl)guanidine
CID 116513509
1-amino-3-(2-methoxyethyl)-2-(2,2,2-trifluoroethyl)guanidine
CID 104883049

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(3-cyclopentylpropyl)-3-(2-methoxyethyl)guanidine?
The IUPAC name of 1-amino-2-(3-cyclopentylpropyl)-3-(2-methoxyethyl)guanidine (CID 106013168) is 1-amino-2-(3-cyclopentylpropyl)-3-(2-methoxyethyl)guanidine.
What is the SMILES notation for 1-amino-2-(3-cyclopentylpropyl)-3-(2-methoxyethyl)guanidine?
The canonical SMILES for 1-amino-2-(3-cyclopentylpropyl)-3-(2-methoxyethyl)guanidine is COCCN/C(=N\CCCC1CCCC1)NN.
What is the InChIKey of 1-amino-2-(3-cyclopentylpropyl)-3-(2-methoxyethyl)guanidine?
The InChIKey is MWHQFWUVQJKVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O/c1-17-10-9-15-12(16-13)14-8-4-7-11-5-2-3-6-11/h11H,2-10,13H2,1H3,(H2,14,15,16).
What are the key properties of 1-amino-2-(3-cyclopentylpropyl)-3-(2-methoxyethyl)guanidine?
1-amino-2-(3-cyclopentylpropyl)-3-(2-methoxyethyl)guanidine has a molecular weight of 242.37 g/mol, XLogP of 1.01, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(3-cyclopentylpropyl)-3-(2-methoxyethyl)guanidine is sourced from PubChem (CID 106013168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).