1-cyclohexyl-2-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)guanidine;hydroiodide

C14H26F3IN4O — CID 120973862

IUPAC1-cyclohexyl-2-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)guanidine;hydroiodide
SMILESI.N/C(=N\CC(N1CCOCC1)C(F)(F)F)NC1CCCCC1
InChIInChI=1S/C14H25F3N4O.HI/c15-14(16,17)12(21-6-8-22-9-7-21)10-19-13(18)20-11-4-2-1-3-5-11;/h11-12H,1-10H2,(H3,18,19,20);1H
InChIKeyCYHQFGBHONFKGW-UHFFFAOYSA-N
MW450.29 g/mol
LogP2.10
Rot. Bonds4

About 1-cyclohexyl-2-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)guanidine;hydroiodide

1-cyclohexyl-2-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)guanidine;hydroiodide (PubChem CID 120973862) has the molecular formula C14H26F3IN4O and a molecular weight of 450.29 g/mol. Its IUPAC name is 1-cyclohexyl-2-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclohexyl-2-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)guanidine;hydroiodide
PubChem CID120973862
Molecular FormulaC14H26F3IN4O
Molecular Weight450.29 g/mol
Exact Mass450.11
IUPAC Name1-cyclohexyl-2-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)guanidine;hydroiodide
SMILESI.N/C(=N\CC(N1CCOCC1)C(F)(F)F)NC1CCCCC1
InChIInChI=1S/C14H25F3N4O.HI/c15-14(16,17)12(21-6-8-22-9-7-21)10-19-13(18)20-11-4-2-1-3-5-11;/h11-12H,1-10H2,(H3,18,19,20);1H
InChIKeyCYHQFGBHONFKGW-UHFFFAOYSA-N
XLogP2.10
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.29
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

N'-methyl-N-(4-morpholin-4-ylbutyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 109376246
N-ethyl-N'-(4-morpholin-4-ylbutyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 109376908
N-(2-ethoxyethyl)-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 109377516
N-(2-butoxyethyl)-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 109378595
2-Methyl-1-[2-(3-methylmorpholin-4-yl)propyl]-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109474188
2-Methyl-1-[2-(3-methylmorpholin-4-yl)propyl]-3-(3,3,3-trifluoropropyl)guanidine
CID 109474189
1-Ethyl-2-[2-(3-methylmorpholin-4-yl)propyl]-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109475096
1-Ethyl-2-[2-(3-methylmorpholin-4-yl)propyl]-3-(3,3,3-trifluoropropyl)guanidine
CID 109475097
1-Ethyl-2-(2-morpholin-4-ylpropyl)-3-[3-(2,2,2-trifluoroethoxy)propyl]guanidine;hydroiodide
CID 111020968
2-(3-Morpholin-4-ylpropyl)-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide
CID 111085520
2-(3-Morpholin-4-ylpropyl)-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
CID 111085521
1-Ethyl-2-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 111778268

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)guanidine;hydroiodide?
The IUPAC name of 1-cyclohexyl-2-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)guanidine;hydroiodide (CID 120973862) is 1-cyclohexyl-2-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)guanidine;hydroiodide.
What is the SMILES notation for 1-cyclohexyl-2-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)guanidine;hydroiodide?
The canonical SMILES for 1-cyclohexyl-2-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)guanidine;hydroiodide is I.N/C(=N\CC(N1CCOCC1)C(F)(F)F)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)guanidine;hydroiodide?
The InChIKey is CYHQFGBHONFKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N4O.HI/c15-14(16,17)12(21-6-8-22-9-7-21)10-19-13(18)20-11-4-2-1-3-5-11;/h11-12H,1-10H2,(H3,18,19,20);1H.
What are the key properties of 1-cyclohexyl-2-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)guanidine;hydroiodide?
1-cyclohexyl-2-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)guanidine;hydroiodide has a molecular weight of 450.29 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)guanidine;hydroiodide is sourced from PubChem (CID 120973862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).