3-amino-2-cyclopentyl-1-(2,2-difluoroethyl)-1-methylguanidine

C9H18F2N4 — CID 104888980

IUPAC3-amino-2-cyclopentyl-1-(2,2-difluoroethyl)-1-methylguanidine
SMILESCN(CC(F)F)/C(=N\C1CCCC1)NN
InChIInChI=1S/C9H18F2N4/c1-15(6-8(10)11)9(14-12)13-7-4-2-3-5-7/h7-8H,2-6,12H2,1H3,(H,13,14)
InChIKeyVAQIGZHPDLKNGA-UHFFFAOYSA-N
MW220.27 g/mol
LogP0.95
Rot. Bonds3

About 3-amino-2-cyclopentyl-1-(2,2-difluoroethyl)-1-methylguanidine

3-amino-2-cyclopentyl-1-(2,2-difluoroethyl)-1-methylguanidine (PubChem CID 104888980) has the molecular formula C9H18F2N4 and a molecular weight of 220.27 g/mol. Its IUPAC name is 3-amino-2-cyclopentyl-1-(2,2-difluoroethyl)-1-methylguanidine.

Molecular Properties

Compound Name3-amino-2-cyclopentyl-1-(2,2-difluoroethyl)-1-methylguanidine
PubChem CID104888980
Molecular FormulaC9H18F2N4
Molecular Weight220.27 g/mol
Exact Mass220.15
IUPAC Name3-amino-2-cyclopentyl-1-(2,2-difluoroethyl)-1-methylguanidine
SMILESCN(CC(F)F)/C(=N\C1CCCC1)NN
InChIInChI=1S/C9H18F2N4/c1-15(6-8(10)11)9(14-12)13-7-4-2-3-5-7/h7-8H,2-6,12H2,1H3,(H,13,14)
InChIKeyVAQIGZHPDLKNGA-UHFFFAOYSA-N
XLogP0.95
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.95
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-methyl-1-(2,2,2-trifluoroethyl)guanidine
CID 62361396
1-Amino-3-cyclopentyl-2-(2,2,2-trifluoroethyl)guanidine
CID 104883045
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-1-methyl-2-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884162
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-butyl-1-ethyl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884432
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

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-cyclopentyl-1-(2,2-difluoroethyl)-1-methylguanidine?
The IUPAC name of 3-amino-2-cyclopentyl-1-(2,2-difluoroethyl)-1-methylguanidine (CID 104888980) is 3-amino-2-cyclopentyl-1-(2,2-difluoroethyl)-1-methylguanidine.
What is the SMILES notation for 3-amino-2-cyclopentyl-1-(2,2-difluoroethyl)-1-methylguanidine?
The canonical SMILES for 3-amino-2-cyclopentyl-1-(2,2-difluoroethyl)-1-methylguanidine is CN(CC(F)F)/C(=N\C1CCCC1)NN.
What is the InChIKey of 3-amino-2-cyclopentyl-1-(2,2-difluoroethyl)-1-methylguanidine?
The InChIKey is VAQIGZHPDLKNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2N4/c1-15(6-8(10)11)9(14-12)13-7-4-2-3-5-7/h7-8H,2-6,12H2,1H3,(H,13,14).
What are the key properties of 3-amino-2-cyclopentyl-1-(2,2-difluoroethyl)-1-methylguanidine?
3-amino-2-cyclopentyl-1-(2,2-difluoroethyl)-1-methylguanidine has a molecular weight of 220.27 g/mol, XLogP of 0.95, 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-(2,2-difluoroethyl)-1-methylguanidine is sourced from PubChem (CID 104888980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).