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

C11H18N4 — CID 116510832

IUPAC3-amino-1-ethyl-2-methyl-1-(4-methylphenyl)guanidine
SMILESCCN(/C(=N/C)NN)c1ccc(C)cc1
InChIInChI=1S/C11H18N4/c1-4-15(11(13-3)14-12)10-7-5-9(2)6-8-10/h5-8H,4,12H2,1-3H3,(H,13,14)
InChIKeyFQPNABPQFAVNLZ-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.27
Rot. Bonds2

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

3-amino-1-ethyl-2-methyl-1-(4-methylphenyl)guanidine (PubChem CID 116510832) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is 3-amino-1-ethyl-2-methyl-1-(4-methylphenyl)guanidine.

Molecular Properties

Compound Name3-amino-1-ethyl-2-methyl-1-(4-methylphenyl)guanidine
PubChem CID116510832
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name3-amino-1-ethyl-2-methyl-1-(4-methylphenyl)guanidine
SMILESCCN(/C(=N/C)NN)c1ccc(C)cc1
InChIInChI=1S/C11H18N4/c1-4-15(11(13-3)14-12)10-7-5-9(2)6-8-10/h5-8H,4,12H2,1-3H3,(H,13,14)
InChIKeyFQPNABPQFAVNLZ-UHFFFAOYSA-N
XLogP1.27
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.27
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-ethyl-2-methyl-1-(4-methylphenyl)guanidine?
The IUPAC name of 3-amino-1-ethyl-2-methyl-1-(4-methylphenyl)guanidine (CID 116510832) is 3-amino-1-ethyl-2-methyl-1-(4-methylphenyl)guanidine.
What is the SMILES notation for 3-amino-1-ethyl-2-methyl-1-(4-methylphenyl)guanidine?
The canonical SMILES for 3-amino-1-ethyl-2-methyl-1-(4-methylphenyl)guanidine is CCN(/C(=N/C)NN)c1ccc(C)cc1.
What is the InChIKey of 3-amino-1-ethyl-2-methyl-1-(4-methylphenyl)guanidine?
The InChIKey is FQPNABPQFAVNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/c1-4-15(11(13-3)14-12)10-7-5-9(2)6-8-10/h5-8H,4,12H2,1-3H3,(H,13,14).
What are the key properties of 3-amino-1-ethyl-2-methyl-1-(4-methylphenyl)guanidine?
3-amino-1-ethyl-2-methyl-1-(4-methylphenyl)guanidine has a molecular weight of 206.29 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-ethyl-2-methyl-1-(4-methylphenyl)guanidine is sourced from PubChem (CID 116510832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).