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

C17H35IN4 — CID 110957285

IUPAC1-cyclohexyl-2-methyl-3-[2-(3-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
SMILESC/N=C(\NCC(C)N1CCCC(C)C1)NC1CCCCC1.I
InChIInChI=1S/C17H34N4.HI/c1-14-8-7-11-21(13-14)15(2)12-19-17(18-3)20-16-9-5-4-6-10-16;/h14-16H,4-13H2,1-3H3,(H2,18,19,20);1H
InChIKeyQQMLFGJRJYTARK-UHFFFAOYSA-N
MW422.40 g/mol
LogP3.22
Rot. Bonds4

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

1-cyclohexyl-2-methyl-3-[2-(3-methylpiperidin-1-yl)propyl]guanidine;hydroiodide (PubChem CID 110957285) has the molecular formula C17H35IN4 and a molecular weight of 422.40 g/mol. Its IUPAC name is 1-cyclohexyl-2-methyl-3-[2-(3-methylpiperidin-1-yl)propyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclohexyl-2-methyl-3-[2-(3-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
PubChem CID110957285
Molecular FormulaC17H35IN4
Molecular Weight422.40 g/mol
Exact Mass422.19
IUPAC Name1-cyclohexyl-2-methyl-3-[2-(3-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
SMILESC/N=C(\NCC(C)N1CCCC(C)C1)NC1CCCCC1.I
InChIInChI=1S/C17H34N4.HI/c1-14-8-7-11-21(13-14)15(2)12-19-17(18-3)20-16-9-5-4-6-10-16;/h14-16H,4-13H2,1-3H3,(H2,18,19,20);1H
InChIKeyQQMLFGJRJYTARK-UHFFFAOYSA-N
XLogP3.22
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.40
LogP ≤ 53.22
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

ethyl 4-[[N'-methyl-N-[2-(3-methylpiperidin-1-yl)propyl]carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111327163
2-methyl-1-(3-methylbutyl)-3-[2-(3-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 110977378
1-butyl-2-methyl-3-[2-(3-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111151833
1-cyclohexyl-3-[2-(4-ethylpiperazin-1-yl)propyl]-2-methylguanidine;hydroiodide
CID 110957277
1-butyl-2-methyl-3-[2-(3-methylpiperidin-1-yl)propyl]guanidine
CID 111151834
1-cyclohexyl-2-methyl-3-(2-methylpropyl)guanidine;hydroiodide
CID 110958106
2-methyl-1-[2-(3-methylpiperidin-1-yl)propyl]-3-(4-methylsulfanylbutyl)guanidine
CID 111627214
1-(2-ethoxyethyl)-2-methyl-3-[2-(3-methylpiperidin-1-yl)propyl]guanidine
CID 111894295
1-(3-ethoxypropyl)-2-methyl-3-[2-(3-methylpiperidin-1-yl)propyl]guanidine
CID 111221785
1-(3-hydroxy-2-phenylpropyl)-2-methyl-3-[2-(3-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 109409300
1-cyclopentyl-2-methyl-3-[2-(3-methylpiperidin-1-yl)ethyl]guanidine;hydroiodide
CID 110990160
2-methyl-1-[2-(4-methylpiperidin-1-yl)propyl]-3-propan-2-ylguanidine;hydroiodide
CID 111125066

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-methyl-3-[2-(3-methylpiperidin-1-yl)propyl]guanidine;hydroiodide?
The IUPAC name of 1-cyclohexyl-2-methyl-3-[2-(3-methylpiperidin-1-yl)propyl]guanidine;hydroiodide (CID 110957285) is 1-cyclohexyl-2-methyl-3-[2-(3-methylpiperidin-1-yl)propyl]guanidine;hydroiodide.
What is the SMILES notation for 1-cyclohexyl-2-methyl-3-[2-(3-methylpiperidin-1-yl)propyl]guanidine;hydroiodide?
The canonical SMILES for 1-cyclohexyl-2-methyl-3-[2-(3-methylpiperidin-1-yl)propyl]guanidine;hydroiodide is C/N=C(\NCC(C)N1CCCC(C)C1)NC1CCCCC1.I.
What is the InChIKey of 1-cyclohexyl-2-methyl-3-[2-(3-methylpiperidin-1-yl)propyl]guanidine;hydroiodide?
The InChIKey is QQMLFGJRJYTARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4.HI/c1-14-8-7-11-21(13-14)15(2)12-19-17(18-3)20-16-9-5-4-6-10-16;/h14-16H,4-13H2,1-3H3,(H2,18,19,20);1H.
What are the key properties of 1-cyclohexyl-2-methyl-3-[2-(3-methylpiperidin-1-yl)propyl]guanidine;hydroiodide?
1-cyclohexyl-2-methyl-3-[2-(3-methylpiperidin-1-yl)propyl]guanidine;hydroiodide has a molecular weight of 422.40 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-methyl-3-[2-(3-methylpiperidin-1-yl)propyl]guanidine;hydroiodide is sourced from PubChem (CID 110957285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).