N'-(N'-cyclohexylcarbamimidoyl)-3,3-difluoropyrrolidine-1-carboximidamide

C12H21F2N5 — CID 154494483

IUPACN'-(N'-cyclohexylcarbamimidoyl)-3,3-difluoropyrrolidine-1-carboximidamide
SMILESNC(=N/C(N)=N/C1CCCCC1)N1CCC(F)(F)C1
InChIInChI=1S/C12H21F2N5/c13-12(14)6-7-19(8-12)11(16)18-10(15)17-9-4-2-1-3-5-9/h9H,1-8H2,(H4,15,16,17,18)
InChIKeyGNQUYYMYTOTYSP-UHFFFAOYSA-N
MW273.33 g/mol
LogP1.29
Rot. Bonds1

About N'-(N'-cyclohexylcarbamimidoyl)-3,3-difluoropyrrolidine-1-carboximidamide

N'-(N'-cyclohexylcarbamimidoyl)-3,3-difluoropyrrolidine-1-carboximidamide (PubChem CID 154494483) has the molecular formula C12H21F2N5 and a molecular weight of 273.33 g/mol. Its IUPAC name is N'-(N'-cyclohexylcarbamimidoyl)-3,3-difluoropyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN'-(N'-cyclohexylcarbamimidoyl)-3,3-difluoropyrrolidine-1-carboximidamide
PubChem CID154494483
Molecular FormulaC12H21F2N5
Molecular Weight273.33 g/mol
Exact Mass273.18
IUPAC NameN'-(N'-cyclohexylcarbamimidoyl)-3,3-difluoropyrrolidine-1-carboximidamide
SMILESNC(=N/C(N)=N/C1CCCCC1)N1CCC(F)(F)C1
InChIInChI=1S/C12H21F2N5/c13-12(14)6-7-19(8-12)11(16)18-10(15)17-9-4-2-1-3-5-9/h9H,1-8H2,(H4,15,16,17,18)
InChIKeyGNQUYYMYTOTYSP-UHFFFAOYSA-N
XLogP1.29
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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

3-(Diaminomethylidene)-1,1-bis(4,4-difluorocyclohexyl)guanidine
CID 117798715
2-N'-cyclohexyl-3,3-difluoropyrrolidine-1,2-dicarboximidamide
CID 153462998
N'-(N'-cyclohexylcarbamimidoyl)-4,4-difluoropiperidine-1-carboximidamide
CID 154494480
N'-(N'-cyclohexylcarbamimidoyl)-4,4-difluoropiperidine-1-carboximidamide;hydrochloride
CID 172686304
N'-(N'-cyclohexylcarbamimidoyl)-3,3-difluoropyrrolidine-1-carboximidamide;hydrochloride
CID 172843565
N'-[N'-[(3S)-3,4,5-trifluorocyclohexyl]carbamimidoyl]piperidine-1-carboximidamide
CID 173924347
N-(N'-cyclohexylcarbamimidoyl)-3,3-difluoropyrrolidine-1-carboximidamide
CID 176520829
N-(N'-cyclohexylcarbamimidoyl)-3,3-difluoropyrrolidine-1-carboximidamide;hydrochloride
CID 176520833
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-methyl-1-(2,2,2-trifluoroethyl)guanidine
CID 62361397
2-Cyclohexyl-1-cyclopropyl-1-(2,2,2-trifluoroethyl)guanidine
CID 62362298

Frequently Asked Questions

What is the IUPAC name of N'-(N'-cyclohexylcarbamimidoyl)-3,3-difluoropyrrolidine-1-carboximidamide?
The IUPAC name of N'-(N'-cyclohexylcarbamimidoyl)-3,3-difluoropyrrolidine-1-carboximidamide (CID 154494483) is N'-(N'-cyclohexylcarbamimidoyl)-3,3-difluoropyrrolidine-1-carboximidamide.
What is the SMILES notation for N'-(N'-cyclohexylcarbamimidoyl)-3,3-difluoropyrrolidine-1-carboximidamide?
The canonical SMILES for N'-(N'-cyclohexylcarbamimidoyl)-3,3-difluoropyrrolidine-1-carboximidamide is NC(=N/C(N)=N/C1CCCCC1)N1CCC(F)(F)C1.
What is the InChIKey of N'-(N'-cyclohexylcarbamimidoyl)-3,3-difluoropyrrolidine-1-carboximidamide?
The InChIKey is GNQUYYMYTOTYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F2N5/c13-12(14)6-7-19(8-12)11(16)18-10(15)17-9-4-2-1-3-5-9/h9H,1-8H2,(H4,15,16,17,18).
What are the key properties of N'-(N'-cyclohexylcarbamimidoyl)-3,3-difluoropyrrolidine-1-carboximidamide?
N'-(N'-cyclohexylcarbamimidoyl)-3,3-difluoropyrrolidine-1-carboximidamide has a molecular weight of 273.33 g/mol, XLogP of 1.29, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(N'-cyclohexylcarbamimidoyl)-3,3-difluoropyrrolidine-1-carboximidamide is sourced from PubChem (CID 154494483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).