N-amino-N'-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide

C10H20F3N5 — CID 104885934

IUPACN-amino-N'-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide
SMILESCC(C)/N=C(\NN)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H20F3N5/c1-8(2)15-9(16-14)18-5-3-17(4-6-18)7-10(11,12)13/h8H,3-7,14H2,1-2H3,(H,15,16)
InChIKeyBRJQTYWBPGFANQ-UHFFFAOYSA-N
MW267.30 g/mol
LogP0.39
Rot. Bonds2

About N-amino-N'-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide

N-amino-N'-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide (PubChem CID 104885934) has the molecular formula C10H20F3N5 and a molecular weight of 267.30 g/mol. Its IUPAC name is N-amino-N'-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide
PubChem CID104885934
Molecular FormulaC10H20F3N5
Molecular Weight267.30 g/mol
Exact Mass267.17
IUPAC NameN-amino-N'-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide
SMILESCC(C)/N=C(\NN)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H20F3N5/c1-8(2)15-9(16-14)18-5-3-17(4-6-18)7-10(11,12)13/h8H,3-7,14H2,1-2H3,(H,15,16)
InChIKeyBRJQTYWBPGFANQ-UHFFFAOYSA-N
XLogP0.39
TPSA56.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of N-amino-N'-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide?
The IUPAC name of N-amino-N'-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide (CID 104885934) is N-amino-N'-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide.
What is the SMILES notation for N-amino-N'-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide?
The canonical SMILES for N-amino-N'-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide is CC(C)/N=C(\NN)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of N-amino-N'-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide?
The InChIKey is BRJQTYWBPGFANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3N5/c1-8(2)15-9(16-14)18-5-3-17(4-6-18)7-10(11,12)13/h8H,3-7,14H2,1-2H3,(H,15,16).
What are the key properties of N-amino-N'-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide?
N-amino-N'-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide has a molecular weight of 267.30 g/mol, XLogP of 0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide is sourced from PubChem (CID 104885934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).