1-amino-3-(3-ethoxypropyl)-2-(3-phenoxypropyl)guanidine

C15H26N4O2 — CID 116513377

IUPAC1-amino-3-(3-ethoxypropyl)-2-(3-phenoxypropyl)guanidine
SMILESCCOCCCN/C(=N\CCCOc1ccccc1)NN
InChIInChI=1S/C15H26N4O2/c1-2-20-12-6-10-17-15(19-16)18-11-7-13-21-14-8-4-3-5-9-14/h3-5,8-9H,2,6-7,10-13,16H2,1H3,(H2,17,18,19)
InChIKeyAPOKGJOHCXPVBM-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.29
Rot. Bonds10

About 1-amino-3-(3-ethoxypropyl)-2-(3-phenoxypropyl)guanidine

1-amino-3-(3-ethoxypropyl)-2-(3-phenoxypropyl)guanidine (PubChem CID 116513377) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-amino-3-(3-ethoxypropyl)-2-(3-phenoxypropyl)guanidine.

Molecular Properties

Compound Name1-amino-3-(3-ethoxypropyl)-2-(3-phenoxypropyl)guanidine
PubChem CID116513377
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name1-amino-3-(3-ethoxypropyl)-2-(3-phenoxypropyl)guanidine
SMILESCCOCCCN/C(=N\CCCOc1ccccc1)NN
InChIInChI=1S/C15H26N4O2/c1-2-20-12-6-10-17-15(19-16)18-11-7-13-21-14-8-4-3-5-9-14/h3-5,8-9H,2,6-7,10-13,16H2,1H3,(H2,17,18,19)
InChIKeyAPOKGJOHCXPVBM-UHFFFAOYSA-N
XLogP1.29
TPSA80.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.29
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-3-(3-ethoxypropyl)-2-(3-phenoxypropyl)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-methoxypropyl)-3-(2-phenoxyethyl)guanidine
CID 116513779
2-(4-ethoxybutyl)-1-ethyl-3-(2-phenoxyethyl)guanidine
CID 111005039
1-amino-2-(3-ethoxypropyl)-3-(4-propoxyphenyl)guanidine
CID 116513647
2-[[(3-ethoxypropylamino)-(3-phenoxypropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111363796
1-ethyl-3-[4-(2-methoxyethoxy)butyl]-2-(3-phenoxypropyl)guanidine
CID 111418357
1-amino-3-[3-(diethylamino)propyl]-2-(3-ethoxypropyl)guanidine
CID 104883061
ethyl 4-[[ethylamino-(2-phenoxyethylamino)methylidene]amino]butanoate;hydroiodide
CID 111005438
1-amino-3-(3-ethoxypropyl)-2-(3-methylsulfonylpropyl)guanidine
CID 104884681
1-amino-2-(3-ethoxypropyl)-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]guanidine
CID 106412597
1-ethyl-3-[3-(oxolan-2-ylmethoxy)propyl]-2-(3-phenoxypropyl)guanidine
CID 111409407
1-amino-2-(3-ethoxypropyl)-3-(2-pyrazol-1-ylethyl)guanidine
CID 116514706
2-(3-ethoxypropyl)-1-[2-(4-methylphenoxy)ethyl]guanidine
CID 111026847

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(3-ethoxypropyl)-2-(3-phenoxypropyl)guanidine?
The IUPAC name of 1-amino-3-(3-ethoxypropyl)-2-(3-phenoxypropyl)guanidine (CID 116513377) is 1-amino-3-(3-ethoxypropyl)-2-(3-phenoxypropyl)guanidine.
What is the SMILES notation for 1-amino-3-(3-ethoxypropyl)-2-(3-phenoxypropyl)guanidine?
The canonical SMILES for 1-amino-3-(3-ethoxypropyl)-2-(3-phenoxypropyl)guanidine is CCOCCCN/C(=N\CCCOc1ccccc1)NN.
What is the InChIKey of 1-amino-3-(3-ethoxypropyl)-2-(3-phenoxypropyl)guanidine?
The InChIKey is APOKGJOHCXPVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-2-20-12-6-10-17-15(19-16)18-11-7-13-21-14-8-4-3-5-9-14/h3-5,8-9H,2,6-7,10-13,16H2,1H3,(H2,17,18,19).
What are the key properties of 1-amino-3-(3-ethoxypropyl)-2-(3-phenoxypropyl)guanidine?
1-amino-3-(3-ethoxypropyl)-2-(3-phenoxypropyl)guanidine has a molecular weight of 294.40 g/mol, XLogP of 1.29, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(3-ethoxypropyl)-2-(3-phenoxypropyl)guanidine is sourced from PubChem (CID 116513377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).