1-amino-2-(3-ethoxypropyl)-3-[2-(1-methylpyrazol-3-yl)ethyl]guanidine

C12H24N6O — CID 106106954

IUPAC1-amino-2-(3-ethoxypropyl)-3-[2-(1-methylpyrazol-3-yl)ethyl]guanidine
SMILESCCOCCC/N=C(\NN)NCCc1ccn(C)n1
InChIInChI=1S/C12H24N6O/c1-3-19-10-4-7-14-12(16-13)15-8-5-11-6-9-18(2)17-11/h6,9H,3-5,7-8,10,13H2,1-2H3,(H2,14,15,16)
InChIKeyXVTKSLQUBNIIHV-UHFFFAOYSA-N
MW268.36 g/mol
LogP-0.20
Rot. Bonds8

About 1-amino-2-(3-ethoxypropyl)-3-[2-(1-methylpyrazol-3-yl)ethyl]guanidine

1-amino-2-(3-ethoxypropyl)-3-[2-(1-methylpyrazol-3-yl)ethyl]guanidine (PubChem CID 106106954) has the molecular formula C12H24N6O and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-amino-2-(3-ethoxypropyl)-3-[2-(1-methylpyrazol-3-yl)ethyl]guanidine.

Molecular Properties

Compound Name1-amino-2-(3-ethoxypropyl)-3-[2-(1-methylpyrazol-3-yl)ethyl]guanidine
PubChem CID106106954
Molecular FormulaC12H24N6O
Molecular Weight268.36 g/mol
Exact Mass268.20
IUPAC Name1-amino-2-(3-ethoxypropyl)-3-[2-(1-methylpyrazol-3-yl)ethyl]guanidine
SMILESCCOCCC/N=C(\NN)NCCc1ccn(C)n1
InChIInChI=1S/C12H24N6O/c1-3-19-10-4-7-14-12(16-13)15-8-5-11-6-9-18(2)17-11/h6,9H,3-5,7-8,10,13H2,1-2H3,(H2,14,15,16)
InChIKeyXVTKSLQUBNIIHV-UHFFFAOYSA-N
XLogP-0.20
TPSA89.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-[2-(1-methylpyrazol-3-yl)ethyl]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-(1-methylpyrazol-3-yl)ethyl]-2-propylguanidine
CID 106106955
1-amino-2-(3-ethoxypropyl)-3-(2-imidazol-1-ylethyl)guanidine
CID 116514877
1-amino-2-(3-ethoxypropyl)-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]guanidine
CID 106412597
1-amino-3-(3-ethoxypropyl)-2-(3-phenoxypropyl)guanidine
CID 116513377
1-amino-3-[3-(diethylamino)propyl]-2-(3-ethoxypropyl)guanidine
CID 104883061
2-(2-aminoethoxy)-N-[2-(1-methylpyrazol-3-yl)ethyl]acetamide
CID 106105100
1-amino-3-[2-[di(propan-2-yl)amino]ethyl]-2-(3-ethoxypropyl)guanidine
CID 104882909
2-(3-ethoxypropyl)-1-ethyl-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide
CID 111836404
1-amino-3-(3,4-dimethylphenyl)-2-(3-ethoxypropyl)guanidine
CID 116512602
3-(3-ethoxypropyl)-1-methyl-1-[(1-methylpyrazol-3-yl)methyl]thiourea
CID 19456213
2-(4-ethoxybutyl)-1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine;hydroiodide
CID 111945248
1-amino-3-(3-ethoxypropyl)-2-(3-methylsulfonylpropyl)guanidine
CID 104884681

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(3-ethoxypropyl)-3-[2-(1-methylpyrazol-3-yl)ethyl]guanidine?
The IUPAC name of 1-amino-2-(3-ethoxypropyl)-3-[2-(1-methylpyrazol-3-yl)ethyl]guanidine (CID 106106954) is 1-amino-2-(3-ethoxypropyl)-3-[2-(1-methylpyrazol-3-yl)ethyl]guanidine.
What is the SMILES notation for 1-amino-2-(3-ethoxypropyl)-3-[2-(1-methylpyrazol-3-yl)ethyl]guanidine?
The canonical SMILES for 1-amino-2-(3-ethoxypropyl)-3-[2-(1-methylpyrazol-3-yl)ethyl]guanidine is CCOCCC/N=C(\NN)NCCc1ccn(C)n1.
What is the InChIKey of 1-amino-2-(3-ethoxypropyl)-3-[2-(1-methylpyrazol-3-yl)ethyl]guanidine?
The InChIKey is XVTKSLQUBNIIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N6O/c1-3-19-10-4-7-14-12(16-13)15-8-5-11-6-9-18(2)17-11/h6,9H,3-5,7-8,10,13H2,1-2H3,(H2,14,15,16).
What are the key properties of 1-amino-2-(3-ethoxypropyl)-3-[2-(1-methylpyrazol-3-yl)ethyl]guanidine?
1-amino-2-(3-ethoxypropyl)-3-[2-(1-methylpyrazol-3-yl)ethyl]guanidine has a molecular weight of 268.36 g/mol, XLogP of -0.20, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(3-ethoxypropyl)-3-[2-(1-methylpyrazol-3-yl)ethyl]guanidine is sourced from PubChem (CID 106106954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).