1-amino-3-(3,4-diethoxyphenyl)-2-propylguanidine

C14H24N4O2 — CID 116512039

IUPAC1-amino-3-(3,4-diethoxyphenyl)-2-propylguanidine
SMILESCCC/N=C(\NN)Nc1ccc(OCC)c(OCC)c1
InChIInChI=1S/C14H24N4O2/c1-4-9-16-14(18-15)17-11-7-8-12(19-5-2)13(10-11)20-6-3/h7-8,10H,4-6,9,15H2,1-3H3,(H2,16,17,18)
InChIKeyFTCAAUVKMCLGFG-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.13
Rot. Bonds7

About 1-amino-3-(3,4-diethoxyphenyl)-2-propylguanidine

1-amino-3-(3,4-diethoxyphenyl)-2-propylguanidine (PubChem CID 116512039) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-amino-3-(3,4-diethoxyphenyl)-2-propylguanidine.

Molecular Properties

Compound Name1-amino-3-(3,4-diethoxyphenyl)-2-propylguanidine
PubChem CID116512039
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name1-amino-3-(3,4-diethoxyphenyl)-2-propylguanidine
SMILESCCC/N=C(\NN)Nc1ccc(OCC)c(OCC)c1
InChIInChI=1S/C14H24N4O2/c1-4-9-16-14(18-15)17-11-7-8-12(19-5-2)13(10-11)20-6-3/h7-8,10H,4-6,9,15H2,1-3H3,(H2,16,17,18)
InChIKeyFTCAAUVKMCLGFG-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'}

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Related Compounds

1-amino-3-(2,5-diethoxyphenyl)-2-propylguanidine
CID 116511808
1-amino-3-(3-fluoro-4-methoxyphenyl)-2-propylguanidine
CID 116513185
1-amino-3-(3,4-dimethylphenyl)-2-propylguanidine
CID 116512604
1-amino-2-butyl-3-(2,5-diethoxyphenyl)guanidine
CID 116511806
1-amino-3-(4-ethoxy-3-fluorophenyl)-2-methylguanidine
CID 116511010
1-(4-ethoxy-3-fluorophenyl)-2-propylguanidine
CID 113399815
N-(3,4-diethoxyphenyl)acetamide
CID 13120229
1-amino-2-butyl-3-(6-ethoxy-3-pyridinyl)guanidine
CID 116515880
1-amino-2-butyl-3-(3,4,5-trimethoxyphenyl)guanidine
CID 116511680
1-amino-2-butyl-3-(4-methoxyphenyl)guanidine
CID 116511366
N-(3,4-diethoxyphenyl)-2-sulfanylacetamide
CID 60650095
1-amino-3-(3-fluoro-4-methoxyphenyl)-2-(3-methoxypropyl)guanidine
CID 116513187

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(3,4-diethoxyphenyl)-2-propylguanidine?
The IUPAC name of 1-amino-3-(3,4-diethoxyphenyl)-2-propylguanidine (CID 116512039) is 1-amino-3-(3,4-diethoxyphenyl)-2-propylguanidine.
What is the SMILES notation for 1-amino-3-(3,4-diethoxyphenyl)-2-propylguanidine?
The canonical SMILES for 1-amino-3-(3,4-diethoxyphenyl)-2-propylguanidine is CCC/N=C(\NN)Nc1ccc(OCC)c(OCC)c1.
What is the InChIKey of 1-amino-3-(3,4-diethoxyphenyl)-2-propylguanidine?
The InChIKey is FTCAAUVKMCLGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-4-9-16-14(18-15)17-11-7-8-12(19-5-2)13(10-11)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-(3,4-diethoxyphenyl)-2-propylguanidine?
1-amino-3-(3,4-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-(3,4-diethoxyphenyl)-2-propylguanidine is sourced from PubChem (CID 116512039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).