3-amino-1-cyclopropyl-2-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)guanidine

C10H19F3N4 — CID 104884461

IUPAC3-amino-1-cyclopropyl-2-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)guanidine
SMILESCC(C)C/N=C(\NN)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C10H19F3N4/c1-7(2)5-15-9(16-14)17(8-3-4-8)6-10(11,12)13/h7-8H,3-6,14H2,1-2H3,(H,15,16)
InChIKeyZFQBRMKOVXQEBQ-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.49
Rot. Bonds4

About 3-amino-1-cyclopropyl-2-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)guanidine

3-amino-1-cyclopropyl-2-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)guanidine (PubChem CID 104884461) has the molecular formula C10H19F3N4 and a molecular weight of 252.28 g/mol. Its IUPAC name is 3-amino-1-cyclopropyl-2-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)guanidine.

Molecular Properties

Compound Name3-amino-1-cyclopropyl-2-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)guanidine
PubChem CID104884461
Molecular FormulaC10H19F3N4
Molecular Weight252.28 g/mol
Exact Mass252.16
IUPAC Name3-amino-1-cyclopropyl-2-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)guanidine
SMILESCC(C)C/N=C(\NN)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C10H19F3N4/c1-7(2)5-15-9(16-14)17(8-3-4-8)6-10(11,12)13/h7-8H,3-6,14H2,1-2H3,(H,15,16)
InChIKeyZFQBRMKOVXQEBQ-UHFFFAOYSA-N
XLogP1.49
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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

1-Cyclopropyl-2-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)guanidine
CID 62364341
3-Amino-2-methyl-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine
CID 104882055
3-Amino-1-cyclopropyl-2-methyl-1-(2,2,2-trifluoroethyl)guanidine
CID 104882058
3-Amino-1-methyl-2-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)guanidine
CID 104884163
3-Amino-2-cyclopropyl-1-methyl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884164
3-Amino-2-ethyl-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884424
3-Amino-1-propan-2-yl-2-propyl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884425
3-Amino-1,2-di(propan-2-yl)-1-(2,2,2-trifluoroethyl)guanidine
CID 104884428
3-Amino-2-(2-methylpropyl)-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884429
3-Amino-2-cyclopropyl-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884430
3-Amino-1-ethyl-2-propyl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884435
3-Amino-1-ethyl-2-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884438

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-cyclopropyl-2-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)guanidine?
The IUPAC name of 3-amino-1-cyclopropyl-2-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)guanidine (CID 104884461) is 3-amino-1-cyclopropyl-2-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)guanidine.
What is the SMILES notation for 3-amino-1-cyclopropyl-2-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)guanidine?
The canonical SMILES for 3-amino-1-cyclopropyl-2-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)guanidine is CC(C)C/N=C(\NN)N(CC(F)(F)F)C1CC1.
What is the InChIKey of 3-amino-1-cyclopropyl-2-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)guanidine?
The InChIKey is ZFQBRMKOVXQEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N4/c1-7(2)5-15-9(16-14)17(8-3-4-8)6-10(11,12)13/h7-8H,3-6,14H2,1-2H3,(H,15,16).
What are the key properties of 3-amino-1-cyclopropyl-2-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)guanidine?
3-amino-1-cyclopropyl-2-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)guanidine has a molecular weight of 252.28 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-cyclopropyl-2-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)guanidine is sourced from PubChem (CID 104884461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).