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

C10H19F3N4 — CID 104887070

IUPACN-amino-N'-propan-2-yl-3-(trifluoromethyl)piperidine-1-carboximidamide
SMILESCC(C)/N=C(\NN)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C10H19F3N4/c1-7(2)15-9(16-14)17-5-3-4-8(6-17)10(11,12)13/h7-8H,3-6,14H2,1-2H3,(H,15,16)
InChIKeyLJUDZZCYIHEPOE-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.49
Rot. Bonds1

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

N-amino-N'-propan-2-yl-3-(trifluoromethyl)piperidine-1-carboximidamide (PubChem CID 104887070) has the molecular formula C10H19F3N4 and a molecular weight of 252.28 g/mol. Its IUPAC name is N-amino-N'-propan-2-yl-3-(trifluoromethyl)piperidine-1-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-propan-2-yl-3-(trifluoromethyl)piperidine-1-carboximidamide
PubChem CID104887070
Molecular FormulaC10H19F3N4
Molecular Weight252.28 g/mol
Exact Mass252.16
IUPAC NameN-amino-N'-propan-2-yl-3-(trifluoromethyl)piperidine-1-carboximidamide
SMILESCC(C)/N=C(\NN)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C10H19F3N4/c1-7(2)15-9(16-14)17-5-3-4-8(6-17)10(11,12)13/h7-8H,3-6,14H2,1-2H3,(H,15,16)
InChIKeyLJUDZZCYIHEPOE-UHFFFAOYSA-N
XLogP1.49
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.49
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'-propan-2-yl-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 65538461
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-cyclohexyl-1-propyl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884479
N-amino-N'-(1-methoxypropan-2-yl)-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 104887063
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
N-amino-N'-(3-methoxypropyl)-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 104887068
N-amino-N'-cyclopentyl-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 104887069
N-amino-N'-(2-methylpropyl)-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 104887071
N-amino-N'-ethyl-4-(trifluoromethyl)piperidine-1-carboximidamide
CID 104887095

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-propan-2-yl-3-(trifluoromethyl)piperidine-1-carboximidamide?
The IUPAC name of N-amino-N'-propan-2-yl-3-(trifluoromethyl)piperidine-1-carboximidamide (CID 104887070) is N-amino-N'-propan-2-yl-3-(trifluoromethyl)piperidine-1-carboximidamide.
What is the SMILES notation for N-amino-N'-propan-2-yl-3-(trifluoromethyl)piperidine-1-carboximidamide?
The canonical SMILES for N-amino-N'-propan-2-yl-3-(trifluoromethyl)piperidine-1-carboximidamide is CC(C)/N=C(\NN)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-amino-N'-propan-2-yl-3-(trifluoromethyl)piperidine-1-carboximidamide?
The InChIKey is LJUDZZCYIHEPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N4/c1-7(2)15-9(16-14)17-5-3-4-8(6-17)10(11,12)13/h7-8H,3-6,14H2,1-2H3,(H,15,16).
What are the key properties of N-amino-N'-propan-2-yl-3-(trifluoromethyl)piperidine-1-carboximidamide?
N-amino-N'-propan-2-yl-3-(trifluoromethyl)piperidine-1-carboximidamide has a molecular weight of 252.28 g/mol, XLogP of 1.49, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-propan-2-yl-3-(trifluoromethyl)piperidine-1-carboximidamide is sourced from PubChem (CID 104887070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).