N-amino-N'-ethyl-4,4-difluoropiperidine-1-carboximidamide

C8H16F2N4 — CID 164657363

IUPACN-amino-N'-ethyl-4,4-difluoropiperidine-1-carboximidamide
SMILESCC/N=C(\NN)N1CCC(F)(F)CC1
InChIInChI=1S/C8H16F2N4/c1-2-12-7(13-11)14-5-3-8(9,10)4-6-14/h2-6,11H2,1H3,(H,12,13)
InChIKeyRRLPXTYNJPPWLT-UHFFFAOYSA-N
MW206.24 g/mol
LogP0.56
Rot. Bonds1

About N-amino-N'-ethyl-4,4-difluoropiperidine-1-carboximidamide

N-amino-N'-ethyl-4,4-difluoropiperidine-1-carboximidamide (PubChem CID 164657363) has the molecular formula C8H16F2N4 and a molecular weight of 206.24 g/mol. Its IUPAC name is N-amino-N'-ethyl-4,4-difluoropiperidine-1-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-ethyl-4,4-difluoropiperidine-1-carboximidamide
PubChem CID164657363
Molecular FormulaC8H16F2N4
Molecular Weight206.24 g/mol
Exact Mass206.13
IUPAC NameN-amino-N'-ethyl-4,4-difluoropiperidine-1-carboximidamide
SMILESCC/N=C(\NN)N1CCC(F)(F)CC1
InChIInChI=1S/C8H16F2N4/c1-2-12-7(13-11)14-5-3-8(9,10)4-6-14/h2-6,11H2,1H3,(H,12,13)
InChIKeyRRLPXTYNJPPWLT-UHFFFAOYSA-N
XLogP0.56
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-amino-N'-ethyl-4,4-difluoropiperidine-1-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-amino-N'-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide
CID 104882205
N-amino-N'-methyl-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 104882315
N-amino-N'-methyl-4-(trifluoromethyl)piperidine-1-carboximidamide
CID 104882318
3-Amino-2-butyl-1-methyl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884156
3-Amino-2-cyclohexyl-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884426
3-Amino-2-butyl-1-ethyl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884432
3-Amino-1-ethyl-2-propyl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884435
3-Amino-2-cyclopentyl-1-ethyl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884437
3-Amino-2-butyl-1-propyl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884475
3-Amino-2-ethyl-1-propyl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884477
3-Amino-1,2-dipropyl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884478
3-Amino-2-cyclohexyl-1-propyl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884479

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-ethyl-4,4-difluoropiperidine-1-carboximidamide?
The IUPAC name of N-amino-N'-ethyl-4,4-difluoropiperidine-1-carboximidamide (CID 164657363) is N-amino-N'-ethyl-4,4-difluoropiperidine-1-carboximidamide.
What is the SMILES notation for N-amino-N'-ethyl-4,4-difluoropiperidine-1-carboximidamide?
The canonical SMILES for N-amino-N'-ethyl-4,4-difluoropiperidine-1-carboximidamide is CC/N=C(\NN)N1CCC(F)(F)CC1.
What is the InChIKey of N-amino-N'-ethyl-4,4-difluoropiperidine-1-carboximidamide?
The InChIKey is RRLPXTYNJPPWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2N4/c1-2-12-7(13-11)14-5-3-8(9,10)4-6-14/h2-6,11H2,1H3,(H,12,13).
What are the key properties of N-amino-N'-ethyl-4,4-difluoropiperidine-1-carboximidamide?
N-amino-N'-ethyl-4,4-difluoropiperidine-1-carboximidamide has a molecular weight of 206.24 g/mol, XLogP of 0.56, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-ethyl-4,4-difluoropiperidine-1-carboximidamide is sourced from PubChem (CID 164657363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).