N-(diaminomethylidene)-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide

C8H15F3N6 — CID 83037344

IUPACN-(diaminomethylidene)-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide
SMILES[H]/N=C(\N=C(N)N)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C8H15F3N6/c9-8(10,11)5-16-1-3-17(4-2-16)7(14)15-6(12)13/h1-5H2,(H5,12,13,14,15)
InChIKeyUUHAQCZXKBPPID-UHFFFAOYSA-N
MW252.24 g/mol
LogP-0.63
Rot. Bonds1

About N-(diaminomethylidene)-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide

N-(diaminomethylidene)-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide (PubChem CID 83037344) has the molecular formula C8H15F3N6 and a molecular weight of 252.24 g/mol. Its IUPAC name is N-(diaminomethylidene)-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide
PubChem CID83037344
Molecular FormulaC8H15F3N6
Molecular Weight252.24 g/mol
Exact Mass252.13
IUPAC NameN-(diaminomethylidene)-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide
SMILES[H]/N=C(\N=C(N)N)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C8H15F3N6/c9-8(10,11)5-16-1-3-17(4-2-16)7(14)15-6(12)13/h1-5H2,(H5,12,13,14,15)
InChIKeyUUHAQCZXKBPPID-UHFFFAOYSA-N
XLogP-0.63
TPSA94.73 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 5-0.63
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide?
The IUPAC name of N-(diaminomethylidene)-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide (CID 83037344) is N-(diaminomethylidene)-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide.
What is the SMILES notation for N-(diaminomethylidene)-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide?
The canonical SMILES for N-(diaminomethylidene)-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide is [H]/N=C(\N=C(N)N)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of N-(diaminomethylidene)-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide?
The InChIKey is UUHAQCZXKBPPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N6/c9-8(10,11)5-16-1-3-17(4-2-16)7(14)15-6(12)13/h1-5H2,(H5,12,13,14,15).
What are the key properties of N-(diaminomethylidene)-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide?
N-(diaminomethylidene)-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide has a molecular weight of 252.24 g/mol, XLogP of -0.63, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide is sourced from PubChem (CID 83037344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).