1-amino-3-(1-cyclohexylpropyl)-2-ethylguanidine

C12H26N4 — CID 104884009

IUPAC1-amino-3-(1-cyclohexylpropyl)-2-ethylguanidine
SMILESCC/N=C(\NN)NC(CC)C1CCCCC1
InChIInChI=1S/C12H26N4/c1-3-11(10-8-6-5-7-9-10)15-12(16-13)14-4-2/h10-11H,3-9,13H2,1-2H3,(H2,14,15,16)
InChIKeyZOZKNWMNWYPJAR-UHFFFAOYSA-N
MW226.37 g/mol
LogP1.77
Rot. Bonds4

About 1-amino-3-(1-cyclohexylpropyl)-2-ethylguanidine

1-amino-3-(1-cyclohexylpropyl)-2-ethylguanidine (PubChem CID 104884009) has the molecular formula C12H26N4 and a molecular weight of 226.37 g/mol. Its IUPAC name is 1-amino-3-(1-cyclohexylpropyl)-2-ethylguanidine.

Molecular Properties

Compound Name1-amino-3-(1-cyclohexylpropyl)-2-ethylguanidine
PubChem CID104884009
Molecular FormulaC12H26N4
Molecular Weight226.37 g/mol
Exact Mass226.22
IUPAC Name1-amino-3-(1-cyclohexylpropyl)-2-ethylguanidine
SMILESCC/N=C(\NN)NC(CC)C1CCCCC1
InChIInChI=1S/C12H26N4/c1-3-11(10-8-6-5-7-9-10)15-12(16-13)14-4-2/h10-11H,3-9,13H2,1-2H3,(H2,14,15,16)
InChIKeyZOZKNWMNWYPJAR-UHFFFAOYSA-N
XLogP1.77
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.37
LogP ≤ 51.77
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

[(2-Cyclohexylethylamino)-hydrazinylmethylidene]-dimethylazanium
CID 54490625
1-Amino-3-(4-aminocyclohexyl)-2-methylguanidine
CID 57559056
1-Amino-3-cyclohexyl-2-methylguanidine
CID 91089056
1-Amino-2-methyl-3-(4-methylpentyl)guanidine
CID 104882210
2-(4-Aminocyclohexyl)-1-[2-methyl-1-(2-methylhydrazinyl)propyl]guanidine
CID 126559950
1-(1-Cyclohexylpropyl)-2-(2-methylpropyl)guanidine
CID 55069320
1-(1-Cyclohexylethyl)-2-(2-methylpropyl)guanidine
CID 62406169
1-(1-Cyclohexylethyl)-2-ethylguanidine
CID 62406351
1-(1-Cyclohexylethyl)-2-propylguanidine
CID 62406352
1-(1-Cyclohexylethyl)-2-methylguanidine
CID 62406528
1-(1-Cyclohexylpropyl)-2-ethylguanidine
CID 62406883
1-(1-Cyclohexylpropyl)-2-propylguanidine
CID 62406884

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(1-cyclohexylpropyl)-2-ethylguanidine?
The IUPAC name of 1-amino-3-(1-cyclohexylpropyl)-2-ethylguanidine (CID 104884009) is 1-amino-3-(1-cyclohexylpropyl)-2-ethylguanidine.
What is the SMILES notation for 1-amino-3-(1-cyclohexylpropyl)-2-ethylguanidine?
The canonical SMILES for 1-amino-3-(1-cyclohexylpropyl)-2-ethylguanidine is CC/N=C(\NN)NC(CC)C1CCCCC1.
What is the InChIKey of 1-amino-3-(1-cyclohexylpropyl)-2-ethylguanidine?
The InChIKey is ZOZKNWMNWYPJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4/c1-3-11(10-8-6-5-7-9-10)15-12(16-13)14-4-2/h10-11H,3-9,13H2,1-2H3,(H2,14,15,16).
What are the key properties of 1-amino-3-(1-cyclohexylpropyl)-2-ethylguanidine?
1-amino-3-(1-cyclohexylpropyl)-2-ethylguanidine has a molecular weight of 226.37 g/mol, XLogP of 1.77, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(1-cyclohexylpropyl)-2-ethylguanidine is sourced from PubChem (CID 104884009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).