1-cyclohexyl-2-(2-methoxy-2-methylpropyl)guanidine;hydroiodide

C12H26IN3O — CID 111607844

IUPAC1-cyclohexyl-2-(2-methoxy-2-methylpropyl)guanidine;hydroiodide
SMILESCOC(C)(C)C/N=C(\N)NC1CCCCC1.I
InChIInChI=1S/C12H25N3O.HI/c1-12(2,16-3)9-14-11(13)15-10-7-5-4-6-8-10;/h10H,4-9H2,1-3H3,(H3,13,14,15);1H
InChIKeyJJRLYJJWCXMOEK-UHFFFAOYSA-N
MW355.26 g/mol
LogP2.27
Rot. Bonds4

About 1-cyclohexyl-2-(2-methoxy-2-methylpropyl)guanidine;hydroiodide

1-cyclohexyl-2-(2-methoxy-2-methylpropyl)guanidine;hydroiodide (PubChem CID 111607844) has the molecular formula C12H26IN3O and a molecular weight of 355.26 g/mol. Its IUPAC name is 1-cyclohexyl-2-(2-methoxy-2-methylpropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclohexyl-2-(2-methoxy-2-methylpropyl)guanidine;hydroiodide
PubChem CID111607844
Molecular FormulaC12H26IN3O
Molecular Weight355.26 g/mol
Exact Mass355.11
IUPAC Name1-cyclohexyl-2-(2-methoxy-2-methylpropyl)guanidine;hydroiodide
SMILESCOC(C)(C)C/N=C(\N)NC1CCCCC1.I
InChIInChI=1S/C12H25N3O.HI/c1-12(2,16-3)9-14-11(13)15-10-7-5-4-6-8-10;/h10H,4-9H2,1-3H3,(H3,13,14,15);1H
InChIKeyJJRLYJJWCXMOEK-UHFFFAOYSA-N
XLogP2.27
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.26
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-cyclohexyl-2-(2-methoxy-2-methylpropyl)guanidine;hydroiodide 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

N'-(2-methoxy-2-methylpropyl)cyclohexanecarboximidamide
CID 104766078
1-cyclohexyl-2-ethylguanidine
CID 18727697
1-cyclohexyl-2-(3,3-dimethylbutyl)guanidine
CID 115612324
1-cyclohexyl-2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]guanidine
CID 111080165
1-cyclohexyl-2-[(2-methylcyclohexyl)methyl]guanidine;hydroiodide
CID 110912554
1-cyclohexyl-2-[(4-methylcyclohexyl)methyl]guanidine;hydroiodide
CID 110932852
1-cyclohexyl-2-(2-ethoxyethyl)guanidine
CID 62363423
1-cyclobutyl-2-(cycloheptylmethyl)guanidine
CID 122097653
1-cyclohexyl-2-(3-hydroxy-4-methoxybutyl)guanidine
CID 106248106
ethyl 2-[[amino-(cyclohexylamino)methylidene]amino]acetate
CID 62361877
1-cyclopentyl-2-[2-(2-methoxyethoxy)ethyl]guanidine
CID 62367717
1-cyclopentyl-2-(2-methyl-2-thiophen-2-ylpropyl)guanidine
CID 78963230

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(2-methoxy-2-methylpropyl)guanidine;hydroiodide?
The IUPAC name of 1-cyclohexyl-2-(2-methoxy-2-methylpropyl)guanidine;hydroiodide (CID 111607844) is 1-cyclohexyl-2-(2-methoxy-2-methylpropyl)guanidine;hydroiodide.
What is the SMILES notation for 1-cyclohexyl-2-(2-methoxy-2-methylpropyl)guanidine;hydroiodide?
The canonical SMILES for 1-cyclohexyl-2-(2-methoxy-2-methylpropyl)guanidine;hydroiodide is COC(C)(C)C/N=C(\N)NC1CCCCC1.I.
What is the InChIKey of 1-cyclohexyl-2-(2-methoxy-2-methylpropyl)guanidine;hydroiodide?
The InChIKey is JJRLYJJWCXMOEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O.HI/c1-12(2,16-3)9-14-11(13)15-10-7-5-4-6-8-10;/h10H,4-9H2,1-3H3,(H3,13,14,15);1H.
What are the key properties of 1-cyclohexyl-2-(2-methoxy-2-methylpropyl)guanidine;hydroiodide?
1-cyclohexyl-2-(2-methoxy-2-methylpropyl)guanidine;hydroiodide has a molecular weight of 355.26 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(2-methoxy-2-methylpropyl)guanidine;hydroiodide is sourced from PubChem (CID 111607844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).