N-amino-N'-(2-methylpropyl)-3-(trifluoromethyl)piperidine-1-carboximidamide

C11H21F3N4 — CID 104887071

IUPACN-amino-N'-(2-methylpropyl)-3-(trifluoromethyl)piperidine-1-carboximidamide
SMILESCC(C)C/N=C(\NN)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H21F3N4/c1-8(2)6-16-10(17-15)18-5-3-4-9(7-18)11(12,13)14/h8-9H,3-7,15H2,1-2H3,(H,16,17)
InChIKeyCWOSRUMJNUVGQN-UHFFFAOYSA-N
MW266.31 g/mol
LogP1.74
Rot. Bonds2

About N-amino-N'-(2-methylpropyl)-3-(trifluoromethyl)piperidine-1-carboximidamide

N-amino-N'-(2-methylpropyl)-3-(trifluoromethyl)piperidine-1-carboximidamide (PubChem CID 104887071) has the molecular formula C11H21F3N4 and a molecular weight of 266.31 g/mol. Its IUPAC name is N-amino-N'-(2-methylpropyl)-3-(trifluoromethyl)piperidine-1-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-(2-methylpropyl)-3-(trifluoromethyl)piperidine-1-carboximidamide
PubChem CID104887071
Molecular FormulaC11H21F3N4
Molecular Weight266.31 g/mol
Exact Mass266.17
IUPAC NameN-amino-N'-(2-methylpropyl)-3-(trifluoromethyl)piperidine-1-carboximidamide
SMILESCC(C)C/N=C(\NN)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H21F3N4/c1-8(2)6-16-10(17-15)18-5-3-4-9(7-18)11(12,13)14/h8-9H,3-7,15H2,1-2H3,(H,16,17)
InChIKeyCWOSRUMJNUVGQN-UHFFFAOYSA-N
XLogP1.74
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 51.74
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'}

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Related Compounds

N'-ethyl-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 64168495
N'-methyl-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 64168701
N'-(2-methylpropyl)-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 65538272
N'-propyl-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 65538460
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-(2-methylpropyl)-1-propyl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884482
N-amino-N'-(2-methylpropyl)-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide
CID 104885935
N-amino-N'-(3-ethoxypropyl)-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 104887064
N-amino-N'-ethyl-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 104887065
N-amino-N'-propyl-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 104887066
N-amino-N'-cyclohexyl-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 104887067

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-(2-methylpropyl)-3-(trifluoromethyl)piperidine-1-carboximidamide?
The IUPAC name of N-amino-N'-(2-methylpropyl)-3-(trifluoromethyl)piperidine-1-carboximidamide (CID 104887071) is N-amino-N'-(2-methylpropyl)-3-(trifluoromethyl)piperidine-1-carboximidamide.
What is the SMILES notation for N-amino-N'-(2-methylpropyl)-3-(trifluoromethyl)piperidine-1-carboximidamide?
The canonical SMILES for N-amino-N'-(2-methylpropyl)-3-(trifluoromethyl)piperidine-1-carboximidamide is CC(C)C/N=C(\NN)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-amino-N'-(2-methylpropyl)-3-(trifluoromethyl)piperidine-1-carboximidamide?
The InChIKey is CWOSRUMJNUVGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N4/c1-8(2)6-16-10(17-15)18-5-3-4-9(7-18)11(12,13)14/h8-9H,3-7,15H2,1-2H3,(H,16,17).
What are the key properties of N-amino-N'-(2-methylpropyl)-3-(trifluoromethyl)piperidine-1-carboximidamide?
N-amino-N'-(2-methylpropyl)-3-(trifluoromethyl)piperidine-1-carboximidamide has a molecular weight of 266.31 g/mol, XLogP of 1.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-(2-methylpropyl)-3-(trifluoromethyl)piperidine-1-carboximidamide is sourced from PubChem (CID 104887071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).