1-amino-3-ethyl-2-[(4-methylphenyl)methyl]guanidine

C11H18N4 — CID 116512550

IUPAC1-amino-3-ethyl-2-[(4-methylphenyl)methyl]guanidine
SMILESCCN/C(=N\Cc1ccc(C)cc1)NN
InChIInChI=1S/C11H18N4/c1-3-13-11(15-12)14-8-10-6-4-9(2)5-7-10/h4-7H,3,8,12H2,1-2H3,(H2,13,14,15)
InChIKeyZIOKDOCFGJVWLV-UHFFFAOYSA-N
MW206.29 g/mol
LogP0.92
Rot. Bonds3

About 1-amino-3-ethyl-2-[(4-methylphenyl)methyl]guanidine

1-amino-3-ethyl-2-[(4-methylphenyl)methyl]guanidine (PubChem CID 116512550) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-amino-3-ethyl-2-[(4-methylphenyl)methyl]guanidine.

Molecular Properties

Compound Name1-amino-3-ethyl-2-[(4-methylphenyl)methyl]guanidine
PubChem CID116512550
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name1-amino-3-ethyl-2-[(4-methylphenyl)methyl]guanidine
SMILESCCN/C(=N\Cc1ccc(C)cc1)NN
InChIInChI=1S/C11H18N4/c1-3-13-11(15-12)14-8-10-6-4-9(2)5-7-10/h4-7H,3,8,12H2,1-2H3,(H2,13,14,15)
InChIKeyZIOKDOCFGJVWLV-UHFFFAOYSA-N
XLogP0.92
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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-butyl-2-[(4-methylphenyl)methyl]guanidine
CID 116512548
1-amino-2-[(4-methylphenyl)methyl]-3-phenylguanidine
CID 116512555
1-ethyl-3-[2-hydroxy-2-(4-methylphenyl)ethyl]-2-[(4-methylphenyl)methyl]guanidine;hydroiodide
CID 111245214
1-amino-2-(1,3-benzodioxol-5-ylmethyl)-3-ethylguanidine
CID 116511200
1-ethyl-3-(4-hydroxycyclohexyl)-2-[(4-methylphenyl)methyl]guanidine
CID 111190744
N-[2-[[N-ethyl-N'-[(4-methylphenyl)methyl]carbamimidoyl]amino]ethyl]-2,2-dimethylpropanamide
CID 111244201
1-ethyl-3-(5-methoxypentyl)-2-[(4-methylphenyl)methyl]guanidine
CID 111245139
1-ethyl-2-[(4-methylphenyl)methyl]-3-[(5-methylthiophen-2-yl)methyl]guanidine;hydroiodide
CID 111245284
1-(2,2-diethyl-4-hydroxybutyl)-3-ethyl-2-[(4-methylphenyl)methyl]guanidine
CID 111716194
2-[(4-bromophenyl)methyl]-1,3-diethylguanidine;hydroiodide
CID 86777408
1-ethyl-3-[(3-hydroxythiolan-3-yl)methyl]-2-[(4-methylphenyl)methyl]guanidine
CID 111908339
N-[2-[[N-ethyl-N'-[(4-methylphenyl)methyl]carbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 111244479

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-ethyl-2-[(4-methylphenyl)methyl]guanidine?
The IUPAC name of 1-amino-3-ethyl-2-[(4-methylphenyl)methyl]guanidine (CID 116512550) is 1-amino-3-ethyl-2-[(4-methylphenyl)methyl]guanidine.
What is the SMILES notation for 1-amino-3-ethyl-2-[(4-methylphenyl)methyl]guanidine?
The canonical SMILES for 1-amino-3-ethyl-2-[(4-methylphenyl)methyl]guanidine is CCN/C(=N\Cc1ccc(C)cc1)NN.
What is the InChIKey of 1-amino-3-ethyl-2-[(4-methylphenyl)methyl]guanidine?
The InChIKey is ZIOKDOCFGJVWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/c1-3-13-11(15-12)14-8-10-6-4-9(2)5-7-10/h4-7H,3,8,12H2,1-2H3,(H2,13,14,15).
What are the key properties of 1-amino-3-ethyl-2-[(4-methylphenyl)methyl]guanidine?
1-amino-3-ethyl-2-[(4-methylphenyl)methyl]guanidine has a molecular weight of 206.29 g/mol, XLogP of 0.92, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-ethyl-2-[(4-methylphenyl)methyl]guanidine is sourced from PubChem (CID 116512550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).