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

C12H23F3N4 — CID 104884479

IUPAC3-amino-2-cyclohexyl-1-propyl-1-(2,2,2-trifluoroethyl)guanidine
SMILESCCCN(CC(F)(F)F)/C(=N/C1CCCCC1)NN
InChIInChI=1S/C12H23F3N4/c1-2-8-19(9-12(13,14)15)11(18-16)17-10-6-4-3-5-7-10/h10H,2-9,16H2,1H3,(H,17,18)
InChIKeyXTMOEQXRUREWJP-UHFFFAOYSA-N
MW280.34 g/mol
LogP2.41
Rot. Bonds4

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

3-amino-2-cyclohexyl-1-propyl-1-(2,2,2-trifluoroethyl)guanidine (PubChem CID 104884479) has the molecular formula C12H23F3N4 and a molecular weight of 280.34 g/mol. Its IUPAC name is 3-amino-2-cyclohexyl-1-propyl-1-(2,2,2-trifluoroethyl)guanidine.

Molecular Properties

Compound Name3-amino-2-cyclohexyl-1-propyl-1-(2,2,2-trifluoroethyl)guanidine
PubChem CID104884479
Molecular FormulaC12H23F3N4
Molecular Weight280.34 g/mol
Exact Mass280.19
IUPAC Name3-amino-2-cyclohexyl-1-propyl-1-(2,2,2-trifluoroethyl)guanidine
SMILESCCCN(CC(F)(F)F)/C(=N/C1CCCCC1)NN
InChIInChI=1S/C12H23F3N4/c1-2-8-19(9-12(13,14)15)11(18-16)17-10-6-4-3-5-7-10/h10H,2-9,16H2,1H3,(H,17,18)
InChIKeyXTMOEQXRUREWJP-UHFFFAOYSA-N
XLogP2.41
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.41
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

2-Cyclohexyl-1-propyl-1-(2,2,2-trifluoroethyl)guanidine
CID 62362522
1-Amino-3-cyclohexyl-2-(2,2,2-trifluoroethyl)guanidine
CID 104883043
3-Amino-2-cyclopentyl-1-methyl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884161
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-2-cyclohexyl-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884426
3-Amino-1,2-di(propan-2-yl)-1-(2,2,2-trifluoroethyl)guanidine
CID 104884428
3-Amino-2-cyclopentyl-1-ethyl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884437
3-Amino-1-ethyl-2-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884438
3-Amino-2-butyl-1-cyclopropyl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884454
3-Amino-1-cyclopropyl-2-propyl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884457
3-Amino-2-cyclohexyl-1-cyclopropyl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884458

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-cyclohexyl-1-propyl-1-(2,2,2-trifluoroethyl)guanidine?
The IUPAC name of 3-amino-2-cyclohexyl-1-propyl-1-(2,2,2-trifluoroethyl)guanidine (CID 104884479) is 3-amino-2-cyclohexyl-1-propyl-1-(2,2,2-trifluoroethyl)guanidine.
What is the SMILES notation for 3-amino-2-cyclohexyl-1-propyl-1-(2,2,2-trifluoroethyl)guanidine?
The canonical SMILES for 3-amino-2-cyclohexyl-1-propyl-1-(2,2,2-trifluoroethyl)guanidine is CCCN(CC(F)(F)F)/C(=N/C1CCCCC1)NN.
What is the InChIKey of 3-amino-2-cyclohexyl-1-propyl-1-(2,2,2-trifluoroethyl)guanidine?
The InChIKey is XTMOEQXRUREWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N4/c1-2-8-19(9-12(13,14)15)11(18-16)17-10-6-4-3-5-7-10/h10H,2-9,16H2,1H3,(H,17,18).
What are the key properties of 3-amino-2-cyclohexyl-1-propyl-1-(2,2,2-trifluoroethyl)guanidine?
3-amino-2-cyclohexyl-1-propyl-1-(2,2,2-trifluoroethyl)guanidine has a molecular weight of 280.34 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-cyclohexyl-1-propyl-1-(2,2,2-trifluoroethyl)guanidine is sourced from PubChem (CID 104884479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).