1-cyclohexyl-2-[2-[ethyl(methyl)amino]ethyl]guanidine;hydroiodide

C12H27IN4 — CID 110921200

IUPAC1-cyclohexyl-2-[2-[ethyl(methyl)amino]ethyl]guanidine;hydroiodide
SMILESCCN(C)CC/N=C(\N)NC1CCCCC1.I
InChIInChI=1S/C12H26N4.HI/c1-3-16(2)10-9-14-12(13)15-11-7-5-4-6-8-11;/h11H,3-10H2,1-2H3,(H3,13,14,15);1H
InChIKeyZUHCFRRVTYPHQJ-UHFFFAOYSA-N
MW354.28 g/mol
LogP1.79
Rot. Bonds5

About 1-cyclohexyl-2-[2-[ethyl(methyl)amino]ethyl]guanidine;hydroiodide

1-cyclohexyl-2-[2-[ethyl(methyl)amino]ethyl]guanidine;hydroiodide (PubChem CID 110921200) has the molecular formula C12H27IN4 and a molecular weight of 354.28 g/mol. Its IUPAC name is 1-cyclohexyl-2-[2-[ethyl(methyl)amino]ethyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclohexyl-2-[2-[ethyl(methyl)amino]ethyl]guanidine;hydroiodide
PubChem CID110921200
Molecular FormulaC12H27IN4
Molecular Weight354.28 g/mol
Exact Mass354.13
IUPAC Name1-cyclohexyl-2-[2-[ethyl(methyl)amino]ethyl]guanidine;hydroiodide
SMILESCCN(C)CC/N=C(\N)NC1CCCCC1.I
InChIInChI=1S/C12H26N4.HI/c1-3-16(2)10-9-14-12(13)15-11-7-5-4-6-8-11;/h11H,3-10H2,1-2H3,(H3,13,14,15);1H
InChIKeyZUHCFRRVTYPHQJ-UHFFFAOYSA-N
XLogP1.79
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.28
LogP ≤ 51.79
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'}

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Related Compounds

1-cyclohexyl-2-[7-(dimethylamino)heptyl]guanidine
CID 111084877
1-cyclohexyl-2-ethylguanidine
CID 18727697
1-cyclohexyl-2-octylguanidine
CID 113337391
1-cyclopropyl-2-[2-[cyclopropyl(ethyl)amino]ethyl]guanidine
CID 103640269
1-cyclohexyl-2-(2-ethoxyethyl)guanidine
CID 62363423
1-cyclohexyl-2-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]guanidine;hydroiodide
CID 111752643
1-cyclohexyl-2-(3,3-dimethylbutyl)guanidine
CID 115612324
1-cyclohexyl-2-(3-hydroxybutyl)guanidine
CID 64911703
2-[[amino-(cyclohexylamino)methylidene]amino]-N,N-diethylacetamide
CID 112689629
1-cyclopentyl-2-(3-ethoxypropyl)guanidine
CID 62364488
3-[[amino-(cyclohexylamino)methylidene]amino]-N-propylpropanamide;hydroiodide
CID 110912583
1-cyclohexyl-2-[(2-methylcyclohexyl)methyl]guanidine;hydroiodide
CID 110912554

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[2-[ethyl(methyl)amino]ethyl]guanidine;hydroiodide?
The IUPAC name of 1-cyclohexyl-2-[2-[ethyl(methyl)amino]ethyl]guanidine;hydroiodide (CID 110921200) is 1-cyclohexyl-2-[2-[ethyl(methyl)amino]ethyl]guanidine;hydroiodide.
What is the SMILES notation for 1-cyclohexyl-2-[2-[ethyl(methyl)amino]ethyl]guanidine;hydroiodide?
The canonical SMILES for 1-cyclohexyl-2-[2-[ethyl(methyl)amino]ethyl]guanidine;hydroiodide is CCN(C)CC/N=C(\N)NC1CCCCC1.I.
What is the InChIKey of 1-cyclohexyl-2-[2-[ethyl(methyl)amino]ethyl]guanidine;hydroiodide?
The InChIKey is ZUHCFRRVTYPHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4.HI/c1-3-16(2)10-9-14-12(13)15-11-7-5-4-6-8-11;/h11H,3-10H2,1-2H3,(H3,13,14,15);1H.
What are the key properties of 1-cyclohexyl-2-[2-[ethyl(methyl)amino]ethyl]guanidine;hydroiodide?
1-cyclohexyl-2-[2-[ethyl(methyl)amino]ethyl]guanidine;hydroiodide has a molecular weight of 354.28 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[2-[ethyl(methyl)amino]ethyl]guanidine;hydroiodide is sourced from PubChem (CID 110921200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).