1-amino-2-butyl-3-(2,5-diethoxyphenyl)guanidine

C15H26N4O2 — CID 116511806

IUPAC1-amino-2-butyl-3-(2,5-diethoxyphenyl)guanidine
SMILESCCCC/N=C(\NN)Nc1cc(OCC)ccc1OCC
InChIInChI=1S/C15H26N4O2/c1-4-7-10-17-15(19-16)18-13-11-12(20-5-2)8-9-14(13)21-6-3/h8-9,11H,4-7,10,16H2,1-3H3,(H2,17,18,19)
InChIKeyAMNPTEBNJIPSNG-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.52
Rot. Bonds8

About 1-amino-2-butyl-3-(2,5-diethoxyphenyl)guanidine

1-amino-2-butyl-3-(2,5-diethoxyphenyl)guanidine (PubChem CID 116511806) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-amino-2-butyl-3-(2,5-diethoxyphenyl)guanidine.

Molecular Properties

Compound Name1-amino-2-butyl-3-(2,5-diethoxyphenyl)guanidine
PubChem CID116511806
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name1-amino-2-butyl-3-(2,5-diethoxyphenyl)guanidine
SMILESCCCC/N=C(\NN)Nc1cc(OCC)ccc1OCC
InChIInChI=1S/C15H26N4O2/c1-4-7-10-17-15(19-16)18-13-11-12(20-5-2)8-9-14(13)21-6-3/h8-9,11H,4-7,10,16H2,1-3H3,(H2,17,18,19)
InChIKeyAMNPTEBNJIPSNG-UHFFFAOYSA-N
XLogP2.52
TPSA80.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.52
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'}

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Related Compounds

1-amino-3-(2,5-diethoxyphenyl)-2-propylguanidine
CID 116511808
2-[2-[butyl(methyl)amino]ethyl]-1-(2,5-diethoxyphenyl)guanidine
CID 111802352
1-amino-3-(3,4-diethoxyphenyl)-2-propylguanidine
CID 116512039
1-amino-2-butyl-3-(4-methoxyphenyl)guanidine
CID 116511366
1-(2,5-diethoxyphenyl)-2-[3-(4-hydroxyphenyl)propyl]guanidine
CID 111816118
(2,5-diethoxyphenyl)hydrazine
CID 119006370
1-butyl-3-(2,5-diethoxyphenyl)urea
CID 115569945
1-(2,5-diethoxyphenyl)-2-[3-[2-methoxyethyl(methyl)amino]propyl]guanidine
CID 111066603
1-(2,5-diethoxyphenyl)-2-(2-ethylbutyl)guanidine;hydroiodide
CID 111800679
1-amino-2-butyl-3-(4-fluoro-2-iodophenyl)guanidine
CID 116515734
1-amino-2-butyl-3-(6-ethoxy-3-pyridinyl)guanidine
CID 116515880
1-amino-2-butyl-3-(2,4,5-trichlorophenyl)guanidine
CID 116511775

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-butyl-3-(2,5-diethoxyphenyl)guanidine?
The IUPAC name of 1-amino-2-butyl-3-(2,5-diethoxyphenyl)guanidine (CID 116511806) is 1-amino-2-butyl-3-(2,5-diethoxyphenyl)guanidine.
What is the SMILES notation for 1-amino-2-butyl-3-(2,5-diethoxyphenyl)guanidine?
The canonical SMILES for 1-amino-2-butyl-3-(2,5-diethoxyphenyl)guanidine is CCCC/N=C(\NN)Nc1cc(OCC)ccc1OCC.
What is the InChIKey of 1-amino-2-butyl-3-(2,5-diethoxyphenyl)guanidine?
The InChIKey is AMNPTEBNJIPSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-4-7-10-17-15(19-16)18-13-11-12(20-5-2)8-9-14(13)21-6-3/h8-9,11H,4-7,10,16H2,1-3H3,(H2,17,18,19).
What are the key properties of 1-amino-2-butyl-3-(2,5-diethoxyphenyl)guanidine?
1-amino-2-butyl-3-(2,5-diethoxyphenyl)guanidine has a molecular weight of 294.40 g/mol, XLogP of 2.52, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-butyl-3-(2,5-diethoxyphenyl)guanidine is sourced from PubChem (CID 116511806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).