N-[N-amino-N-(3-aminopropyl)carbamimidoyl]-2,2,2-trifluoro-N'-methylethanimidamide

C7H15F3N6 — CID 176547138

IUPACN-[N-amino-N-(3-aminopropyl)carbamimidoyl]-2,2,2-trifluoro-N'-methylethanimidamide
SMILES[H]/N=C(/N/C(=N/C)C(F)(F)F)N(N)CCCN
InChIInChI=1S/C7H15F3N6/c1-14-5(7(8,9)10)15-6(12)16(13)4-2-3-11/h2-4,11,13H2,1H3,(H2,12,14,15)
InChIKeyWQINIMDEBHQJEV-UHFFFAOYSA-N
MW240.23 g/mol
LogP-0.37
Rot. Bonds3

About N-[N-amino-N-(3-aminopropyl)carbamimidoyl]-2,2,2-trifluoro-N'-methylethanimidamide

N-[N-amino-N-(3-aminopropyl)carbamimidoyl]-2,2,2-trifluoro-N'-methylethanimidamide (PubChem CID 176547138) has the molecular formula C7H15F3N6 and a molecular weight of 240.23 g/mol. Its IUPAC name is N-[N-amino-N-(3-aminopropyl)carbamimidoyl]-2,2,2-trifluoro-N'-methylethanimidamide.

Molecular Properties

Compound NameN-[N-amino-N-(3-aminopropyl)carbamimidoyl]-2,2,2-trifluoro-N'-methylethanimidamide
PubChem CID176547138
Molecular FormulaC7H15F3N6
Molecular Weight240.23 g/mol
Exact Mass240.13
IUPAC NameN-[N-amino-N-(3-aminopropyl)carbamimidoyl]-2,2,2-trifluoro-N'-methylethanimidamide
SMILES[H]/N=C(/N/C(=N/C)C(F)(F)F)N(N)CCCN
InChIInChI=1S/C7H15F3N6/c1-14-5(7(8,9)10)15-6(12)16(13)4-2-3-11/h2-4,11,13H2,1H3,(H2,12,14,15)
InChIKeyWQINIMDEBHQJEV-UHFFFAOYSA-N
XLogP-0.37
TPSA103.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.23
LogP ≤ 5-0.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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-[N-amino-N-(3-aminopropyl)carbamimidoyl]-2,2,2-trifluoro-N'-methylethanimidamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[N-amino-N-(3-aminopropyl)carbamimidoyl]-2,2,2-trifluoro-N'-methylethanimidamide?
The IUPAC name of N-[N-amino-N-(3-aminopropyl)carbamimidoyl]-2,2,2-trifluoro-N'-methylethanimidamide (CID 176547138) is N-[N-amino-N-(3-aminopropyl)carbamimidoyl]-2,2,2-trifluoro-N'-methylethanimidamide.
What is the SMILES notation for N-[N-amino-N-(3-aminopropyl)carbamimidoyl]-2,2,2-trifluoro-N'-methylethanimidamide?
The canonical SMILES for N-[N-amino-N-(3-aminopropyl)carbamimidoyl]-2,2,2-trifluoro-N'-methylethanimidamide is [H]/N=C(/N/C(=N/C)C(F)(F)F)N(N)CCCN.
What is the InChIKey of N-[N-amino-N-(3-aminopropyl)carbamimidoyl]-2,2,2-trifluoro-N'-methylethanimidamide?
The InChIKey is WQINIMDEBHQJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F3N6/c1-14-5(7(8,9)10)15-6(12)16(13)4-2-3-11/h2-4,11,13H2,1H3,(H2,12,14,15).
What are the key properties of N-[N-amino-N-(3-aminopropyl)carbamimidoyl]-2,2,2-trifluoro-N'-methylethanimidamide?
N-[N-amino-N-(3-aminopropyl)carbamimidoyl]-2,2,2-trifluoro-N'-methylethanimidamide has a molecular weight of 240.23 g/mol, XLogP of -0.37, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[N-amino-N-(3-aminopropyl)carbamimidoyl]-2,2,2-trifluoro-N'-methylethanimidamide is sourced from PubChem (CID 176547138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).