1-amino-3-cyclohexyl-2-(2-methyl-3-methylsulfanylpropyl)guanidine

C12H26N4S — CID 104886198

IUPAC1-amino-3-cyclohexyl-2-(2-methyl-3-methylsulfanylpropyl)guanidine
SMILESCSCC(C)C/N=C(\NN)NC1CCCCC1
InChIInChI=1S/C12H26N4S/c1-10(9-17-2)8-14-12(16-13)15-11-6-4-3-5-7-11/h10-11H,3-9,13H2,1-2H3,(H2,14,15,16)
InChIKeyHUPKASCLOUVFCS-UHFFFAOYSA-N
MW258.43 g/mol
LogP1.73
Rot. Bonds5

About 1-amino-3-cyclohexyl-2-(2-methyl-3-methylsulfanylpropyl)guanidine

1-amino-3-cyclohexyl-2-(2-methyl-3-methylsulfanylpropyl)guanidine (PubChem CID 104886198) has the molecular formula C12H26N4S and a molecular weight of 258.43 g/mol. Its IUPAC name is 1-amino-3-cyclohexyl-2-(2-methyl-3-methylsulfanylpropyl)guanidine.

Molecular Properties

Compound Name1-amino-3-cyclohexyl-2-(2-methyl-3-methylsulfanylpropyl)guanidine
PubChem CID104886198
Molecular FormulaC12H26N4S
Molecular Weight258.43 g/mol
Exact Mass258.19
IUPAC Name1-amino-3-cyclohexyl-2-(2-methyl-3-methylsulfanylpropyl)guanidine
SMILESCSCC(C)C/N=C(\NN)NC1CCCCC1
InChIInChI=1S/C12H26N4S/c1-10(9-17-2)8-14-12(16-13)15-11-6-4-3-5-7-11/h10-11H,3-9,13H2,1-2H3,(H2,14,15,16)
InChIKeyHUPKASCLOUVFCS-UHFFFAOYSA-N
XLogP1.73
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 1-amino-3-cyclohexyl-2-(2-methyl-3-methylsulfanylpropyl)guanidine?
The IUPAC name of 1-amino-3-cyclohexyl-2-(2-methyl-3-methylsulfanylpropyl)guanidine (CID 104886198) is 1-amino-3-cyclohexyl-2-(2-methyl-3-methylsulfanylpropyl)guanidine.
What is the SMILES notation for 1-amino-3-cyclohexyl-2-(2-methyl-3-methylsulfanylpropyl)guanidine?
The canonical SMILES for 1-amino-3-cyclohexyl-2-(2-methyl-3-methylsulfanylpropyl)guanidine is CSCC(C)C/N=C(\NN)NC1CCCCC1.
What is the InChIKey of 1-amino-3-cyclohexyl-2-(2-methyl-3-methylsulfanylpropyl)guanidine?
The InChIKey is HUPKASCLOUVFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4S/c1-10(9-17-2)8-14-12(16-13)15-11-6-4-3-5-7-11/h10-11H,3-9,13H2,1-2H3,(H2,14,15,16).
What are the key properties of 1-amino-3-cyclohexyl-2-(2-methyl-3-methylsulfanylpropyl)guanidine?
1-amino-3-cyclohexyl-2-(2-methyl-3-methylsulfanylpropyl)guanidine has a molecular weight of 258.43 g/mol, XLogP of 1.73, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-cyclohexyl-2-(2-methyl-3-methylsulfanylpropyl)guanidine is sourced from PubChem (CID 104886198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).