1-amino-3-cyclopropyl-2-(4,4,4-trifluorobutyl)guanidine

C8H15F3N4 — CID 104888057

IUPAC1-amino-3-cyclopropyl-2-(4,4,4-trifluorobutyl)guanidine
SMILESNN/C(=N\CCCC(F)(F)F)NC1CC1
InChIInChI=1S/C8H15F3N4/c9-8(10,11)4-1-5-13-7(15-12)14-6-2-3-6/h6H,1-5,12H2,(H2,13,14,15)
InChIKeyQCXPHSYLLZYUGB-UHFFFAOYSA-N
MW224.23 g/mol
LogP0.90
Rot. Bonds4

About 1-amino-3-cyclopropyl-2-(4,4,4-trifluorobutyl)guanidine

1-amino-3-cyclopropyl-2-(4,4,4-trifluorobutyl)guanidine (PubChem CID 104888057) has the molecular formula C8H15F3N4 and a molecular weight of 224.23 g/mol. Its IUPAC name is 1-amino-3-cyclopropyl-2-(4,4,4-trifluorobutyl)guanidine.

Molecular Properties

Compound Name1-amino-3-cyclopropyl-2-(4,4,4-trifluorobutyl)guanidine
PubChem CID104888057
Molecular FormulaC8H15F3N4
Molecular Weight224.23 g/mol
Exact Mass224.12
IUPAC Name1-amino-3-cyclopropyl-2-(4,4,4-trifluorobutyl)guanidine
SMILESNN/C(=N\CCCC(F)(F)F)NC1CC1
InChIInChI=1S/C8H15F3N4/c9-8(10,11)4-1-5-13-7(15-12)14-6-2-3-6/h6H,1-5,12H2,(H2,13,14,15)
InChIKeyQCXPHSYLLZYUGB-UHFFFAOYSA-N
XLogP0.90
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-Amino-2-methyl-3-(3,3,3-trifluoropropyl)guanidine
CID 104882192
1-Amino-2-methyl-3-(4,4,4-trifluorobutyl)guanidine
CID 104882410
1-Amino-3-butyl-2-(2,2,2-trifluoroethyl)guanidine
CID 104883040
1-Amino-3-propyl-2-(2,2,2-trifluoroethyl)guanidine
CID 104883042
1-Amino-3-cyclohexyl-2-(2,2,2-trifluoroethyl)guanidine
CID 104883043
1-Amino-3-cyclopentyl-2-(2,2,2-trifluoroethyl)guanidine
CID 104883045
1-Amino-3-propan-2-yl-2-(2,2,2-trifluoroethyl)guanidine
CID 104883046
1-Amino-3-cyclopropyl-2-(2,2,2-trifluoroethyl)guanidine
CID 104883048
1-Amino-2-butyl-3-(3,3,3-trifluoropropyl)guanidine
CID 104885800
1-Amino-2-propyl-3-(3,3,3-trifluoropropyl)guanidine
CID 104885803
1-Amino-3-cyclopentyl-2-(3,3,3-trifluoropropyl)guanidine
CID 104885805
1-Amino-3-propan-2-yl-2-(3,3,3-trifluoropropyl)guanidine
CID 104885806

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-cyclopropyl-2-(4,4,4-trifluorobutyl)guanidine?
The IUPAC name of 1-amino-3-cyclopropyl-2-(4,4,4-trifluorobutyl)guanidine (CID 104888057) is 1-amino-3-cyclopropyl-2-(4,4,4-trifluorobutyl)guanidine.
What is the SMILES notation for 1-amino-3-cyclopropyl-2-(4,4,4-trifluorobutyl)guanidine?
The canonical SMILES for 1-amino-3-cyclopropyl-2-(4,4,4-trifluorobutyl)guanidine is NN/C(=N\CCCC(F)(F)F)NC1CC1.
What is the InChIKey of 1-amino-3-cyclopropyl-2-(4,4,4-trifluorobutyl)guanidine?
The InChIKey is QCXPHSYLLZYUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N4/c9-8(10,11)4-1-5-13-7(15-12)14-6-2-3-6/h6H,1-5,12H2,(H2,13,14,15).
What are the key properties of 1-amino-3-cyclopropyl-2-(4,4,4-trifluorobutyl)guanidine?
1-amino-3-cyclopropyl-2-(4,4,4-trifluorobutyl)guanidine has a molecular weight of 224.23 g/mol, XLogP of 0.90, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-cyclopropyl-2-(4,4,4-trifluorobutyl)guanidine is sourced from PubChem (CID 104888057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).