1-cyclohexyl-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine

C12H23F3N4 — CID 111803234

IUPAC1-cyclohexyl-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine
SMILESCN(CC/N=C(\N)NC1CCCCC1)CC(F)(F)F
InChIInChI=1S/C12H23F3N4/c1-19(9-12(13,14)15)8-7-17-11(16)18-10-5-3-2-4-6-10/h10H,2-9H2,1H3,(H3,16,17,18)
InChIKeyZSDPWZQIQUWSFA-UHFFFAOYSA-N
MW280.34 g/mol
LogP1.72
Rot. Bonds5

About 1-cyclohexyl-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine

1-cyclohexyl-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine (PubChem CID 111803234) has the molecular formula C12H23F3N4 and a molecular weight of 280.34 g/mol. Its IUPAC name is 1-cyclohexyl-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine.

Molecular Properties

Compound Name1-cyclohexyl-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine
PubChem CID111803234
Molecular FormulaC12H23F3N4
Molecular Weight280.34 g/mol
Exact Mass280.19
IUPAC Name1-cyclohexyl-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine
SMILESCN(CC/N=C(\N)NC1CCCCC1)CC(F)(F)F
InChIInChI=1S/C12H23F3N4/c1-19(9-12(13,14)15)8-7-17-11(16)18-10-5-3-2-4-6-10/h10H,2-9H2,1H3,(H3,16,17,18)
InChIKeyZSDPWZQIQUWSFA-UHFFFAOYSA-N
XLogP1.72
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 51.72
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'}

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Related Compounds

N-(4,4-difluorocyclohexyl)-N'-[2-(propylamino)ethyl]methanimidamide
CID 143318235
1-(5-Amino-3,3-difluorocyclohexyl)-2-ethylguanidine
CID 163509412
1-cyclohexyl-6-(trifluoromethyl)-2H-1,3,5-triazine-2,4-diamine
CID 21120008
2-Cyclohexyl-1-ethyl-1-(2,2,2-trifluoroethyl)guanidine
CID 55064154
2-Cyclohexyl-1-propyl-1-(2,2,2-trifluoroethyl)guanidine
CID 62362522
2-Cyclohexyl-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine
CID 62362739
1-Cyclohexyl-2-(2,2,2-trifluoroethyl)guanidine
CID 62364071
N'-cyclohexyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide
CID 62967430
1-Cyclohexyl-2-(3,3,3-trifluoropropyl)guanidine
CID 63227578
2-Cyclohexyl-1-methyl-1-(3,3,3-trifluoropropyl)guanidine
CID 64246463
1-Cyclohexyl-2-(2,2-difluoroethyl)guanidine
CID 79727152
1-Cyclohexyl-2-(4,4,4-trifluorobutyl)guanidine
CID 79822882

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine?
The IUPAC name of 1-cyclohexyl-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine (CID 111803234) is 1-cyclohexyl-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine.
What is the SMILES notation for 1-cyclohexyl-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine?
The canonical SMILES for 1-cyclohexyl-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine is CN(CC/N=C(\N)NC1CCCCC1)CC(F)(F)F.
What is the InChIKey of 1-cyclohexyl-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine?
The InChIKey is ZSDPWZQIQUWSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N4/c1-19(9-12(13,14)15)8-7-17-11(16)18-10-5-3-2-4-6-10/h10H,2-9H2,1H3,(H3,16,17,18).
What are the key properties of 1-cyclohexyl-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine?
1-cyclohexyl-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine has a molecular weight of 280.34 g/mol, XLogP of 1.72, 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-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine is sourced from PubChem (CID 111803234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).