2-(2-anilino-3-methylbutyl)-1-(2-ethoxyethyl)-3-ethylguanidine

C18H32N4O — CID 111895621

IUPAC2-(2-anilino-3-methylbutyl)-1-(2-ethoxyethyl)-3-ethylguanidine
SMILESCCN/C(=N\CC(Nc1ccccc1)C(C)C)NCCOCC
InChIInChI=1S/C18H32N4O/c1-5-19-18(20-12-13-23-6-2)21-14-17(15(3)4)22-16-10-8-7-9-11-16/h7-11,15,17,22H,5-6,12-14H2,1-4H3,(H2,19,20,21)
InChIKeyRKKDWPNDFKIUFC-UHFFFAOYSA-N
MW320.48 g/mol
LogP2.71
Rot. Bonds10

About 2-(2-anilino-3-methylbutyl)-1-(2-ethoxyethyl)-3-ethylguanidine

2-(2-anilino-3-methylbutyl)-1-(2-ethoxyethyl)-3-ethylguanidine (PubChem CID 111895621) has the molecular formula C18H32N4O and a molecular weight of 320.48 g/mol. Its IUPAC name is 2-(2-anilino-3-methylbutyl)-1-(2-ethoxyethyl)-3-ethylguanidine.

Molecular Properties

Compound Name2-(2-anilino-3-methylbutyl)-1-(2-ethoxyethyl)-3-ethylguanidine
PubChem CID111895621
Molecular FormulaC18H32N4O
Molecular Weight320.48 g/mol
Exact Mass320.26
IUPAC Name2-(2-anilino-3-methylbutyl)-1-(2-ethoxyethyl)-3-ethylguanidine
SMILESCCN/C(=N\CC(Nc1ccccc1)C(C)C)NCCOCC
InChIInChI=1S/C18H32N4O/c1-5-19-18(20-12-13-23-6-2)21-14-17(15(3)4)22-16-10-8-7-9-11-16/h7-11,15,17,22H,5-6,12-14H2,1-4H3,(H2,19,20,21)
InChIKeyRKKDWPNDFKIUFC-UHFFFAOYSA-N
XLogP2.71
TPSA57.68 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-(2-anilino-3-methylbutyl)-1-(2-ethoxyethyl)-3-ethylguanidine 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

2-(2-anilino-3-methylbutyl)-1-ethyl-3-[3-(oxan-4-ylmethoxy)propyl]guanidine
CID 111643396
2-(2-anilino-3-methylbutyl)-1-ethyl-3-(2-pyridin-2-ylethyl)guanidine
CID 111193074
2-benzyl-1-(2-ethoxyethyl)-3-ethylguanidine
CID 110954950
2-[2-(2-chlorophenyl)-2-hydroxyethyl]-1-(2-ethoxyethyl)-3-ethylguanidine
CID 111999455
1-(3-ethoxypropyl)-3-ethyl-2-(2-methoxy-2-phenylethyl)guanidine
CID 111222703
1-(2-ethoxyethyl)-3-ethyl-2-[2-(4-fluorophenyl)-2-hydroxyethyl]guanidine;hydroiodide
CID 111999372
1-ethyl-3-(2-methoxyethyl)-2-(3-methyl-2-phenylbutyl)guanidine;hydroiodide
CID 110942185
2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-1-(2-ethoxyethyl)-3-ethylguanidine;hydroiodide
CID 111894922
2-(2-anilino-3-methylbutyl)guanidine;hydroiodide
CID 110915972
1-(2-ethoxyethyl)-3-ethyl-2-(3-phenylsulfanylpropyl)guanidine;hydroiodide
CID 111288824
1-(2-ethoxyethyl)-3-ethyl-2-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]guanidine
CID 111896561
N-[3-[[[(2-ethoxyethylamino)-(ethylamino)methylidene]amino]methyl]phenyl]acetamide
CID 111896011

Frequently Asked Questions

What is the IUPAC name of 2-(2-anilino-3-methylbutyl)-1-(2-ethoxyethyl)-3-ethylguanidine?
The IUPAC name of 2-(2-anilino-3-methylbutyl)-1-(2-ethoxyethyl)-3-ethylguanidine (CID 111895621) is 2-(2-anilino-3-methylbutyl)-1-(2-ethoxyethyl)-3-ethylguanidine.
What is the SMILES notation for 2-(2-anilino-3-methylbutyl)-1-(2-ethoxyethyl)-3-ethylguanidine?
The canonical SMILES for 2-(2-anilino-3-methylbutyl)-1-(2-ethoxyethyl)-3-ethylguanidine is CCN/C(=N\CC(Nc1ccccc1)C(C)C)NCCOCC.
What is the InChIKey of 2-(2-anilino-3-methylbutyl)-1-(2-ethoxyethyl)-3-ethylguanidine?
The InChIKey is RKKDWPNDFKIUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O/c1-5-19-18(20-12-13-23-6-2)21-14-17(15(3)4)22-16-10-8-7-9-11-16/h7-11,15,17,22H,5-6,12-14H2,1-4H3,(H2,19,20,21).
What are the key properties of 2-(2-anilino-3-methylbutyl)-1-(2-ethoxyethyl)-3-ethylguanidine?
2-(2-anilino-3-methylbutyl)-1-(2-ethoxyethyl)-3-ethylguanidine has a molecular weight of 320.48 g/mol, XLogP of 2.71, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-anilino-3-methylbutyl)-1-(2-ethoxyethyl)-3-ethylguanidine is sourced from PubChem (CID 111895621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).