1-cyclopropyl-1-methyl-2-[(1-thiophen-2-ylcyclohexyl)methyl]guanidine

C16H25N3S — CID 110031366

IUPAC1-cyclopropyl-1-methyl-2-[(1-thiophen-2-ylcyclohexyl)methyl]guanidine
SMILESCN(/C(N)=N/CC1(c2cccs2)CCCCC1)C1CC1
InChIInChI=1S/C16H25N3S/c1-19(13-7-8-13)15(17)18-12-16(9-3-2-4-10-16)14-6-5-11-20-14/h5-6,11,13H,2-4,7-10,12H2,1H3,(H2,17,18)
InChIKeyASDYCHFUYCIZHF-UHFFFAOYSA-N
MW291.46 g/mol
LogP3.36
Rot. Bonds4

About 1-cyclopropyl-1-methyl-2-[(1-thiophen-2-ylcyclohexyl)methyl]guanidine

1-cyclopropyl-1-methyl-2-[(1-thiophen-2-ylcyclohexyl)methyl]guanidine (PubChem CID 110031366) has the molecular formula C16H25N3S and a molecular weight of 291.46 g/mol. Its IUPAC name is 1-cyclopropyl-1-methyl-2-[(1-thiophen-2-ylcyclohexyl)methyl]guanidine.

Molecular Properties

Compound Name1-cyclopropyl-1-methyl-2-[(1-thiophen-2-ylcyclohexyl)methyl]guanidine
PubChem CID110031366
Molecular FormulaC16H25N3S
Molecular Weight291.46 g/mol
Exact Mass291.18
IUPAC Name1-cyclopropyl-1-methyl-2-[(1-thiophen-2-ylcyclohexyl)methyl]guanidine
SMILESCN(/C(N)=N/CC1(c2cccs2)CCCCC1)C1CC1
InChIInChI=1S/C16H25N3S/c1-19(13-7-8-13)15(17)18-12-16(9-3-2-4-10-16)14-6-5-11-20-14/h5-6,11,13H,2-4,7-10,12H2,1H3,(H2,17,18)
InChIKeyASDYCHFUYCIZHF-UHFFFAOYSA-N
XLogP3.36
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-cyclopropyl-1-methyl-2-[(1-thiophen-2-ylcyclohexyl)methyl]guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[1-(5-bromothiophen-2-yl)cyclobutyl]methyl]-1-cyclopropyl-1-methylguanidine
CID 120973045
2-[[1-(4-chlorophenyl)cyclopentyl]methyl]-1-cyclopropyl-1-methylguanidine;hydroiodide
CID 110030573
1-cyclopropyl-2-[(1-hydroxycyclohexyl)methyl]-1-methylguanidine;hydroiodide
CID 110030510
1-cyclopropyl-2-[[1-(3-methoxyphenyl)cyclopentyl]methyl]-1-methylguanidine;hydroiodide
CID 110031168
2-[[1-(2-chlorophenyl)cyclopropyl]methyl]-1-cyclopropyl-1-methylguanidine
CID 110031832
1-(4-methoxyphenyl)-2-[(1-thiophen-2-ylcyclohexyl)methyl]guanidine
CID 111818134
N'-[(1-thiophen-2-ylcyclohexyl)methyl]morpholine-4-carboximidamide
CID 111818118
1-cyclopropyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-1-methylguanidine
CID 110031531
1-cyclopropyl-1-methyl-2-[(1-methylsulfinylcyclobutyl)methyl]guanidine
CID 120672031
1-cyclopropyl-1-methyl-2-[[1-(1-phenylethylamino)cyclopentyl]methyl]guanidine
CID 110031198
1-cyclopropyl-1-methyl-2-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]guanidine
CID 110031509
N-[(1-thiophen-2-ylcyclohexyl)methyl]cyclopropanamine
CID 62595162

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-methyl-2-[(1-thiophen-2-ylcyclohexyl)methyl]guanidine?
The IUPAC name of 1-cyclopropyl-1-methyl-2-[(1-thiophen-2-ylcyclohexyl)methyl]guanidine (CID 110031366) is 1-cyclopropyl-1-methyl-2-[(1-thiophen-2-ylcyclohexyl)methyl]guanidine.
What is the SMILES notation for 1-cyclopropyl-1-methyl-2-[(1-thiophen-2-ylcyclohexyl)methyl]guanidine?
The canonical SMILES for 1-cyclopropyl-1-methyl-2-[(1-thiophen-2-ylcyclohexyl)methyl]guanidine is CN(/C(N)=N/CC1(c2cccs2)CCCCC1)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-methyl-2-[(1-thiophen-2-ylcyclohexyl)methyl]guanidine?
The InChIKey is ASDYCHFUYCIZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3S/c1-19(13-7-8-13)15(17)18-12-16(9-3-2-4-10-16)14-6-5-11-20-14/h5-6,11,13H,2-4,7-10,12H2,1H3,(H2,17,18).
What are the key properties of 1-cyclopropyl-1-methyl-2-[(1-thiophen-2-ylcyclohexyl)methyl]guanidine?
1-cyclopropyl-1-methyl-2-[(1-thiophen-2-ylcyclohexyl)methyl]guanidine has a molecular weight of 291.46 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-methyl-2-[(1-thiophen-2-ylcyclohexyl)methyl]guanidine is sourced from PubChem (CID 110031366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).