1-amino-3-cyclohexyl-2-(2,2,2-trifluoroethyl)guanidine

C9H17F3N4 — CID 104883043

IUPAC1-amino-3-cyclohexyl-2-(2,2,2-trifluoroethyl)guanidine
SMILESNN/C(=N\CC(F)(F)F)NC1CCCCC1
InChIInChI=1S/C9H17F3N4/c10-9(11,12)6-14-8(16-13)15-7-4-2-1-3-5-7/h7H,1-6,13H2,(H2,14,15,16)
InChIKeyHDWWGIROPNYOKV-UHFFFAOYSA-N
MW238.26 g/mol
LogP1.29
Rot. Bonds2

About 1-amino-3-cyclohexyl-2-(2,2,2-trifluoroethyl)guanidine

1-amino-3-cyclohexyl-2-(2,2,2-trifluoroethyl)guanidine (PubChem CID 104883043) has the molecular formula C9H17F3N4 and a molecular weight of 238.26 g/mol. Its IUPAC name is 1-amino-3-cyclohexyl-2-(2,2,2-trifluoroethyl)guanidine.

Molecular Properties

Compound Name1-amino-3-cyclohexyl-2-(2,2,2-trifluoroethyl)guanidine
PubChem CID104883043
Molecular FormulaC9H17F3N4
Molecular Weight238.26 g/mol
Exact Mass238.14
IUPAC Name1-amino-3-cyclohexyl-2-(2,2,2-trifluoroethyl)guanidine
SMILESNN/C(=N\CC(F)(F)F)NC1CCCCC1
InChIInChI=1S/C9H17F3N4/c10-9(11,12)6-14-8(16-13)15-7-4-2-1-3-5-7/h7H,1-6,13H2,(H2,14,15,16)
InChIKeyHDWWGIROPNYOKV-UHFFFAOYSA-N
XLogP1.29
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 51.29
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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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-cyclohexyl-2-(2,2,2-trifluoroethyl)guanidine?
The IUPAC name of 1-amino-3-cyclohexyl-2-(2,2,2-trifluoroethyl)guanidine (CID 104883043) is 1-amino-3-cyclohexyl-2-(2,2,2-trifluoroethyl)guanidine.
What is the SMILES notation for 1-amino-3-cyclohexyl-2-(2,2,2-trifluoroethyl)guanidine?
The canonical SMILES for 1-amino-3-cyclohexyl-2-(2,2,2-trifluoroethyl)guanidine is NN/C(=N\CC(F)(F)F)NC1CCCCC1.
What is the InChIKey of 1-amino-3-cyclohexyl-2-(2,2,2-trifluoroethyl)guanidine?
The InChIKey is HDWWGIROPNYOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N4/c10-9(11,12)6-14-8(16-13)15-7-4-2-1-3-5-7/h7H,1-6,13H2,(H2,14,15,16).
What are the key properties of 1-amino-3-cyclohexyl-2-(2,2,2-trifluoroethyl)guanidine?
1-amino-3-cyclohexyl-2-(2,2,2-trifluoroethyl)guanidine has a molecular weight of 238.26 g/mol, XLogP of 1.29, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-cyclohexyl-2-(2,2,2-trifluoroethyl)guanidine is sourced from PubChem (CID 104883043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).