1-amino-3-cyclohexyl-2-(5,5,5-trifluoropentyl)guanidine

C12H23F3N4 — CID 104888074

IUPAC1-amino-3-cyclohexyl-2-(5,5,5-trifluoropentyl)guanidine
SMILESNN/C(=N\CCCCC(F)(F)F)NC1CCCCC1
InChIInChI=1S/C12H23F3N4/c13-12(14,15)8-4-5-9-17-11(19-16)18-10-6-2-1-3-7-10/h10H,1-9,16H2,(H2,17,18,19)
InChIKeyMPJORGUOTIVWEL-UHFFFAOYSA-N
MW280.34 g/mol
LogP2.46
Rot. Bonds5

About 1-amino-3-cyclohexyl-2-(5,5,5-trifluoropentyl)guanidine

1-amino-3-cyclohexyl-2-(5,5,5-trifluoropentyl)guanidine (PubChem CID 104888074) has the molecular formula C12H23F3N4 and a molecular weight of 280.34 g/mol. Its IUPAC name is 1-amino-3-cyclohexyl-2-(5,5,5-trifluoropentyl)guanidine.

Molecular Properties

Compound Name1-amino-3-cyclohexyl-2-(5,5,5-trifluoropentyl)guanidine
PubChem CID104888074
Molecular FormulaC12H23F3N4
Molecular Weight280.34 g/mol
Exact Mass280.19
IUPAC Name1-amino-3-cyclohexyl-2-(5,5,5-trifluoropentyl)guanidine
SMILESNN/C(=N\CCCCC(F)(F)F)NC1CCCCC1
InChIInChI=1S/C12H23F3N4/c13-12(14,15)8-4-5-9-17-11(19-16)18-10-6-2-1-3-7-10/h10H,1-9,16H2,(H2,17,18,19)
InChIKeyMPJORGUOTIVWEL-UHFFFAOYSA-N
XLogP2.46
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.46
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'}

Analyze 1-amino-3-cyclohexyl-2-(5,5,5-trifluoropentyl)guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[6-(4,4-difluorocyclohexyl)imino-2-hydrazinyl-4,5-dihydro-1H-pyrimidin-4-yl]methanamine
CID 139320086
1-Amino-2-methyl-3-(5,5,5-trifluoropentyl)guanidine
CID 104882412
1-Amino-3-cyclohexyl-2-(2,2,2-trifluoroethyl)guanidine
CID 104883043
1-Amino-3-cyclopentyl-2-(2,2,2-trifluoroethyl)guanidine
CID 104883045
3-Amino-2-cyclohexyl-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884426
3-Amino-2-cyclohexyl-1-cyclopropyl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884458
3-Amino-2-cyclohexyl-1-propyl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884479
1-Amino-2-butyl-3-(3,3,3-trifluoropropyl)guanidine
CID 104885800
1-Amino-3-cyclopentyl-2-(3,3,3-trifluoropropyl)guanidine
CID 104885805
1-Amino-3-cyclohexyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine
CID 104886396
3-Amino-2-cyclohexyl-1-methyl-1-(3,3,3-trifluoropropyl)guanidine
CID 104887040
1-Amino-3-cyclohexyl-2-(2,2-difluoroethyl)guanidine
CID 104887788

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-cyclohexyl-2-(5,5,5-trifluoropentyl)guanidine?
The IUPAC name of 1-amino-3-cyclohexyl-2-(5,5,5-trifluoropentyl)guanidine (CID 104888074) is 1-amino-3-cyclohexyl-2-(5,5,5-trifluoropentyl)guanidine.
What is the SMILES notation for 1-amino-3-cyclohexyl-2-(5,5,5-trifluoropentyl)guanidine?
The canonical SMILES for 1-amino-3-cyclohexyl-2-(5,5,5-trifluoropentyl)guanidine is NN/C(=N\CCCCC(F)(F)F)NC1CCCCC1.
What is the InChIKey of 1-amino-3-cyclohexyl-2-(5,5,5-trifluoropentyl)guanidine?
The InChIKey is MPJORGUOTIVWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N4/c13-12(14,15)8-4-5-9-17-11(19-16)18-10-6-2-1-3-7-10/h10H,1-9,16H2,(H2,17,18,19).
What are the key properties of 1-amino-3-cyclohexyl-2-(5,5,5-trifluoropentyl)guanidine?
1-amino-3-cyclohexyl-2-(5,5,5-trifluoropentyl)guanidine has a molecular weight of 280.34 g/mol, XLogP of 2.46, 5 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-(5,5,5-trifluoropentyl)guanidine is sourced from PubChem (CID 104888074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).