1-amino-3-(2,5-diethoxyphenyl)-2-propylguanidine

C14H24N4O2 — CID 116511808

IUPAC1-amino-3-(2,5-diethoxyphenyl)-2-propylguanidine
SMILESCCC/N=C(\NN)Nc1cc(OCC)ccc1OCC
InChIInChI=1S/C14H24N4O2/c1-4-9-16-14(18-15)17-12-10-11(19-5-2)7-8-13(12)20-6-3/h7-8,10H,4-6,9,15H2,1-3H3,(H2,16,17,18)
InChIKeyCTWLFCKLYDXBFN-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.13
Rot. Bonds7

About 1-amino-3-(2,5-diethoxyphenyl)-2-propylguanidine

1-amino-3-(2,5-diethoxyphenyl)-2-propylguanidine (PubChem CID 116511808) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-amino-3-(2,5-diethoxyphenyl)-2-propylguanidine.

Molecular Properties

Compound Name1-amino-3-(2,5-diethoxyphenyl)-2-propylguanidine
PubChem CID116511808
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name1-amino-3-(2,5-diethoxyphenyl)-2-propylguanidine
SMILESCCC/N=C(\NN)Nc1cc(OCC)ccc1OCC
InChIInChI=1S/C14H24N4O2/c1-4-9-16-14(18-15)17-12-10-11(19-5-2)7-8-13(12)20-6-3/h7-8,10H,4-6,9,15H2,1-3H3,(H2,16,17,18)
InChIKeyCTWLFCKLYDXBFN-UHFFFAOYSA-N
XLogP2.13
TPSA80.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-(2,5-diethoxyphenyl)-2-propylguanidine 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-butyl-3-(2,5-diethoxyphenyl)guanidine
CID 116511806
1-amino-3-(3,4-diethoxyphenyl)-2-propylguanidine
CID 116512039
1-amino-3-(2-fluoro-5-methoxyphenyl)-2-propylguanidine
CID 116515895
(2,5-diethoxyphenyl)hydrazine
CID 119006370
2-[2-[butyl(methyl)amino]ethyl]-1-(2,5-diethoxyphenyl)guanidine
CID 111802352
1-(2,5-diethoxyphenyl)-2-(2-ethylbutyl)guanidine;hydroiodide
CID 111800679
(2R)-2-amino-N-(2,5-diethoxyphenyl)pentanamide
CID 103794070
1-(2,5-diethoxyphenyl)-2-[3-(4-hydroxyphenyl)propyl]guanidine
CID 111816118
2-(cyclopropylmethyl)-1-(2,5-diethoxyphenyl)guanidine;hydroiodide
CID 111040816
1-(2,5-diethoxyphenyl)-2-[3-[2-methoxyethyl(methyl)amino]propyl]guanidine
CID 111066603
1-butyl-3-(2,5-diethoxyphenyl)urea
CID 115569945
1-(2,5-diethoxyphenyl)-2-[2-(dimethylamino)-2-methylpropyl]guanidine
CID 111028756

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(2,5-diethoxyphenyl)-2-propylguanidine?
The IUPAC name of 1-amino-3-(2,5-diethoxyphenyl)-2-propylguanidine (CID 116511808) is 1-amino-3-(2,5-diethoxyphenyl)-2-propylguanidine.
What is the SMILES notation for 1-amino-3-(2,5-diethoxyphenyl)-2-propylguanidine?
The canonical SMILES for 1-amino-3-(2,5-diethoxyphenyl)-2-propylguanidine is CCC/N=C(\NN)Nc1cc(OCC)ccc1OCC.
What is the InChIKey of 1-amino-3-(2,5-diethoxyphenyl)-2-propylguanidine?
The InChIKey is CTWLFCKLYDXBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-4-9-16-14(18-15)17-12-10-11(19-5-2)7-8-13(12)20-6-3/h7-8,10H,4-6,9,15H2,1-3H3,(H2,16,17,18).
What are the key properties of 1-amino-3-(2,5-diethoxyphenyl)-2-propylguanidine?
1-amino-3-(2,5-diethoxyphenyl)-2-propylguanidine has a molecular weight of 280.37 g/mol, XLogP of 2.13, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2,5-diethoxyphenyl)-2-propylguanidine is sourced from PubChem (CID 116511808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).