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

C12H20N4S — CID 116513137

IUPAC1-amino-3-cyclohexyl-2-(thiophen-2-ylmethyl)guanidine
SMILESNN/C(=N\Cc1cccs1)NC1CCCCC1
InChIInChI=1S/C12H20N4S/c13-16-12(14-9-11-7-4-8-17-11)15-10-5-2-1-3-6-10/h4,7-8,10H,1-3,5-6,9,13H2,(H2,14,15,16)
InChIKeyKDMOUMZIWYAYFD-UHFFFAOYSA-N
MW252.39 g/mol
LogP1.99
Rot. Bonds3

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

1-amino-3-cyclohexyl-2-(thiophen-2-ylmethyl)guanidine (PubChem CID 116513137) has the molecular formula C12H20N4S and a molecular weight of 252.39 g/mol. Its IUPAC name is 1-amino-3-cyclohexyl-2-(thiophen-2-ylmethyl)guanidine.

Molecular Properties

Compound Name1-amino-3-cyclohexyl-2-(thiophen-2-ylmethyl)guanidine
PubChem CID116513137
Molecular FormulaC12H20N4S
Molecular Weight252.39 g/mol
Exact Mass252.14
IUPAC Name1-amino-3-cyclohexyl-2-(thiophen-2-ylmethyl)guanidine
SMILESNN/C(=N\Cc1cccs1)NC1CCCCC1
InChIInChI=1S/C12H20N4S/c13-16-12(14-9-11-7-4-8-17-11)15-10-5-2-1-3-6-10/h4,7-8,10H,1-3,5-6,9,13H2,(H2,14,15,16)
InChIKeyKDMOUMZIWYAYFD-UHFFFAOYSA-N
XLogP1.99
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.39
LogP ≤ 51.99
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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Related Compounds

1-cyclohexyl-3-[2-(furan-2-yl)ethyl]-2-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 110958702
1-amino-3-cyclohexyl-2-[(4-fluorophenyl)methyl]guanidine
CID 116512388
N-cyclooctyl-2-thiophen-2-ylacetamide
CID 17256729
1-amino-3-ethyl-2-(thiophen-2-ylmethyl)guanidine
CID 116513135
1-amino-3-cyclohexyl-2-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine
CID 114128975
1-amino-2-benzyl-3-cyclopropylguanidine
CID 116511559
1-amino-3-cyclohexyl-2-(2-phenoxyethyl)guanidine
CID 116513778
3-cyclooctyl-1-cyclopropyl-1-(thiophen-2-ylmethyl)thiourea
CID 17065604
1-(1-cyclohexylpiperidin-4-yl)-3-[2-(furan-2-yl)ethyl]-2-(thiophen-2-ylmethyl)guanidine
CID 110056472
N-(thiophen-2-ylmethyl)cycloheptanamine
CID 4719997
1-cyclohexyl-2-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]guanidine
CID 111084415
1-amino-3-cyclohexyl-2-[2-(2-fluorophenyl)ethyl]guanidine
CID 116512069

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-cyclohexyl-2-(thiophen-2-ylmethyl)guanidine?
The IUPAC name of 1-amino-3-cyclohexyl-2-(thiophen-2-ylmethyl)guanidine (CID 116513137) is 1-amino-3-cyclohexyl-2-(thiophen-2-ylmethyl)guanidine.
What is the SMILES notation for 1-amino-3-cyclohexyl-2-(thiophen-2-ylmethyl)guanidine?
The canonical SMILES for 1-amino-3-cyclohexyl-2-(thiophen-2-ylmethyl)guanidine is NN/C(=N\Cc1cccs1)NC1CCCCC1.
What is the InChIKey of 1-amino-3-cyclohexyl-2-(thiophen-2-ylmethyl)guanidine?
The InChIKey is KDMOUMZIWYAYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4S/c13-16-12(14-9-11-7-4-8-17-11)15-10-5-2-1-3-6-10/h4,7-8,10H,1-3,5-6,9,13H2,(H2,14,15,16).
What are the key properties of 1-amino-3-cyclohexyl-2-(thiophen-2-ylmethyl)guanidine?
1-amino-3-cyclohexyl-2-(thiophen-2-ylmethyl)guanidine has a molecular weight of 252.39 g/mol, XLogP of 1.99, 3 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-(thiophen-2-ylmethyl)guanidine is sourced from PubChem (CID 116513137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).