1-cyclohexyl-2-[3-(3-methylpiperidin-1-yl)propyl]guanidine;hydroiodide

C16H33IN4 — CID 111056913

IUPAC1-cyclohexyl-2-[3-(3-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
SMILESCC1CCCN(CCC/N=C(\N)NC2CCCCC2)C1.I
InChIInChI=1S/C16H32N4.HI/c1-14-7-5-11-20(13-14)12-6-10-18-16(17)19-15-8-3-2-4-9-15;/h14-15H,2-13H2,1H3,(H3,17,18,19);1H
InChIKeyCFPCYYJIBJULNA-UHFFFAOYSA-N
MW408.37 g/mol
LogP2.96
Rot. Bonds5

About 1-cyclohexyl-2-[3-(3-methylpiperidin-1-yl)propyl]guanidine;hydroiodide

1-cyclohexyl-2-[3-(3-methylpiperidin-1-yl)propyl]guanidine;hydroiodide (PubChem CID 111056913) has the molecular formula C16H33IN4 and a molecular weight of 408.37 g/mol. Its IUPAC name is 1-cyclohexyl-2-[3-(3-methylpiperidin-1-yl)propyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclohexyl-2-[3-(3-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
PubChem CID111056913
Molecular FormulaC16H33IN4
Molecular Weight408.37 g/mol
Exact Mass408.17
IUPAC Name1-cyclohexyl-2-[3-(3-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
SMILESCC1CCCN(CCC/N=C(\N)NC2CCCCC2)C1.I
InChIInChI=1S/C16H32N4.HI/c1-14-7-5-11-20(13-14)12-6-10-18-16(17)19-15-8-3-2-4-9-15;/h14-15H,2-13H2,1H3,(H3,17,18,19);1H
InChIKeyCFPCYYJIBJULNA-UHFFFAOYSA-N
XLogP2.96
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.37
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

2-[3-(3-methylpiperidin-1-yl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111056935
1-(4-ethylphenyl)-2-[3-(3-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111056937
1-cyclopentyl-2-(2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 119117536
1-cyclohexyl-2-(4-morpholin-4-ylbutyl)guanidine;hydroiodide
CID 111059840
1-cyclopentyl-2-[2-(4-methylpiperidin-1-yl)ethyl]guanidine
CID 62367881
1-butyl-2-[4-(3-methylpiperidin-1-yl)butyl]guanidine
CID 111060231
1-[2-(3-methylpiperidin-1-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine
CID 111056854
2-[3-(3-methylpiperidin-1-yl)propyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111056945
ethyl 4-[[N'-[3-(3,5-dimethylpiperidin-1-yl)propyl]carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111057543
3-methyl-N'-[4-(3-methylpiperidin-1-yl)butyl]piperidine-1-carboximidamide
CID 111060279
1-cyclohexyl-2-[4-(2-methylpiperidin-1-yl)butyl]guanidine
CID 111060057
1-[3-[[(cyclohexylamino)-(ethylamino)methylidene]amino]propyl]piperidine-3-carboxamide;hydroiodide
CID 110957961

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[3-(3-methylpiperidin-1-yl)propyl]guanidine;hydroiodide?
The IUPAC name of 1-cyclohexyl-2-[3-(3-methylpiperidin-1-yl)propyl]guanidine;hydroiodide (CID 111056913) is 1-cyclohexyl-2-[3-(3-methylpiperidin-1-yl)propyl]guanidine;hydroiodide.
What is the SMILES notation for 1-cyclohexyl-2-[3-(3-methylpiperidin-1-yl)propyl]guanidine;hydroiodide?
The canonical SMILES for 1-cyclohexyl-2-[3-(3-methylpiperidin-1-yl)propyl]guanidine;hydroiodide is CC1CCCN(CCC/N=C(\N)NC2CCCCC2)C1.I.
What is the InChIKey of 1-cyclohexyl-2-[3-(3-methylpiperidin-1-yl)propyl]guanidine;hydroiodide?
The InChIKey is CFPCYYJIBJULNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4.HI/c1-14-7-5-11-20(13-14)12-6-10-18-16(17)19-15-8-3-2-4-9-15;/h14-15H,2-13H2,1H3,(H3,17,18,19);1H.
What are the key properties of 1-cyclohexyl-2-[3-(3-methylpiperidin-1-yl)propyl]guanidine;hydroiodide?
1-cyclohexyl-2-[3-(3-methylpiperidin-1-yl)propyl]guanidine;hydroiodide has a molecular weight of 408.37 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[3-(3-methylpiperidin-1-yl)propyl]guanidine;hydroiodide is sourced from PubChem (CID 111056913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).