N'-[N-amino-N-(2-methylpropyl)carbamimidoyl]-2,2,2-trifluoroethanimidamide

C7H14F3N5 — CID 144561771

IUPACN'-[N-amino-N-(2-methylpropyl)carbamimidoyl]-2,2,2-trifluoroethanimidamide
SMILES[H]/N=C(/N=C(\N)C(F)(F)F)N(N)CC(C)C
InChIInChI=1S/C7H14F3N5/c1-4(2)3-15(13)6(12)14-5(11)7(8,9)10/h4H,3,13H2,1-2H3,(H3,11,12,14)
InChIKeyHNHMLAIGTFREDW-UHFFFAOYSA-N
MW225.22 g/mol
LogP0.67
Rot. Bonds2

About N'-[N-amino-N-(2-methylpropyl)carbamimidoyl]-2,2,2-trifluoroethanimidamide

N'-[N-amino-N-(2-methylpropyl)carbamimidoyl]-2,2,2-trifluoroethanimidamide (PubChem CID 144561771) has the molecular formula C7H14F3N5 and a molecular weight of 225.22 g/mol. Its IUPAC name is N'-[N-amino-N-(2-methylpropyl)carbamimidoyl]-2,2,2-trifluoroethanimidamide.

Molecular Properties

Compound NameN'-[N-amino-N-(2-methylpropyl)carbamimidoyl]-2,2,2-trifluoroethanimidamide
PubChem CID144561771
Molecular FormulaC7H14F3N5
Molecular Weight225.22 g/mol
Exact Mass225.12
IUPAC NameN'-[N-amino-N-(2-methylpropyl)carbamimidoyl]-2,2,2-trifluoroethanimidamide
SMILES[H]/N=C(/N=C(\N)C(F)(F)F)N(N)CC(C)C
InChIInChI=1S/C7H14F3N5/c1-4(2)3-15(13)6(12)14-5(11)7(8,9)10/h4H,3,13H2,1-2H3,(H3,11,12,14)
InChIKeyHNHMLAIGTFREDW-UHFFFAOYSA-N
XLogP0.67
TPSA91.49 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 50.67
H-Bond Donors ≤ 53
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

2-Difluoromethyl-4-amino-6-ethyl-amino-s-triazine
CID 129787056
N'-[N-amino-N-(2-methylpropyl)carbamimidoyl]-2,2,2-trifluoroethanimidamide;ethane
CID 144561770
N'-(N-amino-N-prop-2-ynylcarbamimidoyl)-2,2,2-trifluoroethanimidamide
CID 144894411
N'-[N-amino-N-[2-(dimethylamino)ethyl]carbamimidoyl]-2,2,2-trifluoroethanimidamide
CID 144894450
N'-[N-amino-N-[3-(dimethylamino)propyl]carbamimidoyl]-2,2,2-trifluoroethanimidamide
CID 144894462
N-[amino-[amino(ethyl)amino]methylidene]-2,2,2-trifluoro-N'-methylethanimidamide
CID 155130415
N'-[N-amino-N-[3-(methylamino)propyl]carbamimidoyl]-2,2,2-trifluoroethanimidamide
CID 144894442
N-[amino-[amino(propan-2-yl)amino]methylidene]-2,2,2-trifluoro-N'-methylethanimidamide
CID 155130438

Frequently Asked Questions

What is the IUPAC name of N'-[N-amino-N-(2-methylpropyl)carbamimidoyl]-2,2,2-trifluoroethanimidamide?
The IUPAC name of N'-[N-amino-N-(2-methylpropyl)carbamimidoyl]-2,2,2-trifluoroethanimidamide (CID 144561771) is N'-[N-amino-N-(2-methylpropyl)carbamimidoyl]-2,2,2-trifluoroethanimidamide.
What is the SMILES notation for N'-[N-amino-N-(2-methylpropyl)carbamimidoyl]-2,2,2-trifluoroethanimidamide?
The canonical SMILES for N'-[N-amino-N-(2-methylpropyl)carbamimidoyl]-2,2,2-trifluoroethanimidamide is [H]/N=C(/N=C(\N)C(F)(F)F)N(N)CC(C)C.
What is the InChIKey of N'-[N-amino-N-(2-methylpropyl)carbamimidoyl]-2,2,2-trifluoroethanimidamide?
The InChIKey is HNHMLAIGTFREDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3N5/c1-4(2)3-15(13)6(12)14-5(11)7(8,9)10/h4H,3,13H2,1-2H3,(H3,11,12,14).
What are the key properties of N'-[N-amino-N-(2-methylpropyl)carbamimidoyl]-2,2,2-trifluoroethanimidamide?
N'-[N-amino-N-(2-methylpropyl)carbamimidoyl]-2,2,2-trifluoroethanimidamide has a molecular weight of 225.22 g/mol, XLogP of 0.67, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[N-amino-N-(2-methylpropyl)carbamimidoyl]-2,2,2-trifluoroethanimidamide is sourced from PubChem (CID 144561771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).