3-amino-2-cyclohexyl-1-methyl-1-(thiophen-3-ylmethyl)guanidine

C13H22N4S — CID 116513310

IUPAC3-amino-2-cyclohexyl-1-methyl-1-(thiophen-3-ylmethyl)guanidine
SMILESCN(Cc1ccsc1)/C(=N/C1CCCCC1)NN
InChIInChI=1S/C13H22N4S/c1-17(9-11-7-8-18-10-11)13(16-14)15-12-5-3-2-4-6-12/h7-8,10,12H,2-6,9,14H2,1H3,(H,15,16)
InChIKeyLLIUOAULCNDXSD-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.33
Rot. Bonds3

About 3-amino-2-cyclohexyl-1-methyl-1-(thiophen-3-ylmethyl)guanidine

3-amino-2-cyclohexyl-1-methyl-1-(thiophen-3-ylmethyl)guanidine (PubChem CID 116513310) has the molecular formula C13H22N4S and a molecular weight of 266.41 g/mol. Its IUPAC name is 3-amino-2-cyclohexyl-1-methyl-1-(thiophen-3-ylmethyl)guanidine.

Molecular Properties

Compound Name3-amino-2-cyclohexyl-1-methyl-1-(thiophen-3-ylmethyl)guanidine
PubChem CID116513310
Molecular FormulaC13H22N4S
Molecular Weight266.41 g/mol
Exact Mass266.16
IUPAC Name3-amino-2-cyclohexyl-1-methyl-1-(thiophen-3-ylmethyl)guanidine
SMILESCN(Cc1ccsc1)/C(=N/C1CCCCC1)NN
InChIInChI=1S/C13H22N4S/c1-17(9-11-7-8-18-10-11)13(16-14)15-12-5-3-2-4-6-12/h7-8,10,12H,2-6,9,14H2,1H3,(H,15,16)
InChIKeyLLIUOAULCNDXSD-UHFFFAOYSA-N
XLogP2.33
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.33
H-Bond Donors ≤ 52
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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Related Compounds

3-amino-2-cyclopentyl-1-methyl-1-[(4-methylphenyl)methyl]guanidine
CID 116513032
3-amino-2-cyclohexyl-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]guanidine
CID 104885302
N-methyl-N-(thiophen-3-ylmethyl)cyclohexanecarboxamide
CID 39966819
3-amino-2-cyclohexyl-1-(cyclopropylmethyl)-1-methylguanidine
CID 104884329
trans-(1S,2S)-2-[methyl(thiophen-3-ylmethyl)amino]cyclohexan-1-ol
CID 102731894
3-amino-2-cyclohexyl-1,1-dimethylguanidine
CID 104883392
3-amino-1-[(5-chlorothiophen-2-yl)methyl]-2-cyclopropyl-1-methylguanidine
CID 116513845
3-amino-2-cyclohexyl-1-(2-methoxyethyl)-1-methylguanidine
CID 104885414
2-[(4-aminocyclohexyl)-methylamino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 79121413
3-amino-2-cyclohexyl-1-methyl-1-(3,3,3-trifluoropropyl)guanidine
CID 104887040
2-cyclohexyl-2-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]acetic acid
CID 61197550
3-cyclopentyl-2-[2-(furan-2-yl)ethyl]-1-methyl-1-(thiophen-3-ylmethyl)guanidine;hydroiodide
CID 110053723

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-cyclohexyl-1-methyl-1-(thiophen-3-ylmethyl)guanidine?
The IUPAC name of 3-amino-2-cyclohexyl-1-methyl-1-(thiophen-3-ylmethyl)guanidine (CID 116513310) is 3-amino-2-cyclohexyl-1-methyl-1-(thiophen-3-ylmethyl)guanidine.
What is the SMILES notation for 3-amino-2-cyclohexyl-1-methyl-1-(thiophen-3-ylmethyl)guanidine?
The canonical SMILES for 3-amino-2-cyclohexyl-1-methyl-1-(thiophen-3-ylmethyl)guanidine is CN(Cc1ccsc1)/C(=N/C1CCCCC1)NN.
What is the InChIKey of 3-amino-2-cyclohexyl-1-methyl-1-(thiophen-3-ylmethyl)guanidine?
The InChIKey is LLIUOAULCNDXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4S/c1-17(9-11-7-8-18-10-11)13(16-14)15-12-5-3-2-4-6-12/h7-8,10,12H,2-6,9,14H2,1H3,(H,15,16).
What are the key properties of 3-amino-2-cyclohexyl-1-methyl-1-(thiophen-3-ylmethyl)guanidine?
3-amino-2-cyclohexyl-1-methyl-1-(thiophen-3-ylmethyl)guanidine has a molecular weight of 266.41 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-cyclohexyl-1-methyl-1-(thiophen-3-ylmethyl)guanidine is sourced from PubChem (CID 116513310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).