3-amino-2-cyclopentyl-1-ethyl-1-(2,2,2-trifluoroethyl)guanidine

C10H19F3N4 — CID 104884437

IUPAC3-amino-2-cyclopentyl-1-ethyl-1-(2,2,2-trifluoroethyl)guanidine
SMILESCCN(CC(F)(F)F)/C(=N/C1CCCC1)NN
InChIInChI=1S/C10H19F3N4/c1-2-17(7-10(11,12)13)9(16-14)15-8-5-3-4-6-8/h8H,2-7,14H2,1H3,(H,15,16)
InChIKeyWYAANZJFADIWCL-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.63
Rot. Bonds3

About 3-amino-2-cyclopentyl-1-ethyl-1-(2,2,2-trifluoroethyl)guanidine

3-amino-2-cyclopentyl-1-ethyl-1-(2,2,2-trifluoroethyl)guanidine (PubChem CID 104884437) has the molecular formula C10H19F3N4 and a molecular weight of 252.28 g/mol. Its IUPAC name is 3-amino-2-cyclopentyl-1-ethyl-1-(2,2,2-trifluoroethyl)guanidine.

Molecular Properties

Compound Name3-amino-2-cyclopentyl-1-ethyl-1-(2,2,2-trifluoroethyl)guanidine
PubChem CID104884437
Molecular FormulaC10H19F3N4
Molecular Weight252.28 g/mol
Exact Mass252.16
IUPAC Name3-amino-2-cyclopentyl-1-ethyl-1-(2,2,2-trifluoroethyl)guanidine
SMILESCCN(CC(F)(F)F)/C(=N/C1CCCC1)NN
InChIInChI=1S/C10H19F3N4/c1-2-17(7-10(11,12)13)9(16-14)15-8-5-3-4-6-8/h8H,2-7,14H2,1H3,(H,15,16)
InChIKeyWYAANZJFADIWCL-UHFFFAOYSA-N
XLogP1.63
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.63
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-Cyclopentyl-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine
CID 55064248
2-Cyclopentyl-1-ethyl-1-(2,2,2-trifluoroethyl)guanidine
CID 62361427
3-Amino-2-methyl-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine
CID 104882055
3-Amino-2-butyl-1-methyl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884156
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-(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-2-butyl-1-ethyl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884432

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-cyclopentyl-1-ethyl-1-(2,2,2-trifluoroethyl)guanidine?
The IUPAC name of 3-amino-2-cyclopentyl-1-ethyl-1-(2,2,2-trifluoroethyl)guanidine (CID 104884437) is 3-amino-2-cyclopentyl-1-ethyl-1-(2,2,2-trifluoroethyl)guanidine.
What is the SMILES notation for 3-amino-2-cyclopentyl-1-ethyl-1-(2,2,2-trifluoroethyl)guanidine?
The canonical SMILES for 3-amino-2-cyclopentyl-1-ethyl-1-(2,2,2-trifluoroethyl)guanidine is CCN(CC(F)(F)F)/C(=N/C1CCCC1)NN.
What is the InChIKey of 3-amino-2-cyclopentyl-1-ethyl-1-(2,2,2-trifluoroethyl)guanidine?
The InChIKey is WYAANZJFADIWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N4/c1-2-17(7-10(11,12)13)9(16-14)15-8-5-3-4-6-8/h8H,2-7,14H2,1H3,(H,15,16).
What are the key properties of 3-amino-2-cyclopentyl-1-ethyl-1-(2,2,2-trifluoroethyl)guanidine?
3-amino-2-cyclopentyl-1-ethyl-1-(2,2,2-trifluoroethyl)guanidine has a molecular weight of 252.28 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-cyclopentyl-1-ethyl-1-(2,2,2-trifluoroethyl)guanidine is sourced from PubChem (CID 104884437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).