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

C10H20F2N4 — CID 104888978

IUPAC3-amino-2-cyclohexyl-1-(2,2-difluoroethyl)-1-methylguanidine
SMILESCN(CC(F)F)/C(=N\C1CCCCC1)NN
InChIInChI=1S/C10H20F2N4/c1-16(7-9(11)12)10(15-13)14-8-5-3-2-4-6-8/h8-9H,2-7,13H2,1H3,(H,14,15)
InChIKeyRSXVGAUKXNUMKI-UHFFFAOYSA-N
MW234.29 g/mol
LogP1.34
Rot. Bonds3

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

3-amino-2-cyclohexyl-1-(2,2-difluoroethyl)-1-methylguanidine (PubChem CID 104888978) has the molecular formula C10H20F2N4 and a molecular weight of 234.29 g/mol. Its IUPAC name is 3-amino-2-cyclohexyl-1-(2,2-difluoroethyl)-1-methylguanidine.

Molecular Properties

Compound Name3-amino-2-cyclohexyl-1-(2,2-difluoroethyl)-1-methylguanidine
PubChem CID104888978
Molecular FormulaC10H20F2N4
Molecular Weight234.29 g/mol
Exact Mass234.17
IUPAC Name3-amino-2-cyclohexyl-1-(2,2-difluoroethyl)-1-methylguanidine
SMILESCN(CC(F)F)/C(=N\C1CCCCC1)NN
InChIInChI=1S/C10H20F2N4/c1-16(7-9(11)12)10(15-13)14-8-5-3-2-4-6-8/h8-9H,2-7,13H2,1H3,(H,14,15)
InChIKeyRSXVGAUKXNUMKI-UHFFFAOYSA-N
XLogP1.34
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 51.34
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-methyl-1-(2,2,2-trifluoroethyl)guanidine
CID 62361397
1-Amino-3-cyclohexyl-2-(2,2,2-trifluoroethyl)guanidine
CID 104883043
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-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-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

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-cyclohexyl-1-(2,2-difluoroethyl)-1-methylguanidine?
The IUPAC name of 3-amino-2-cyclohexyl-1-(2,2-difluoroethyl)-1-methylguanidine (CID 104888978) is 3-amino-2-cyclohexyl-1-(2,2-difluoroethyl)-1-methylguanidine.
What is the SMILES notation for 3-amino-2-cyclohexyl-1-(2,2-difluoroethyl)-1-methylguanidine?
The canonical SMILES for 3-amino-2-cyclohexyl-1-(2,2-difluoroethyl)-1-methylguanidine is CN(CC(F)F)/C(=N\C1CCCCC1)NN.
What is the InChIKey of 3-amino-2-cyclohexyl-1-(2,2-difluoroethyl)-1-methylguanidine?
The InChIKey is RSXVGAUKXNUMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F2N4/c1-16(7-9(11)12)10(15-13)14-8-5-3-2-4-6-8/h8-9H,2-7,13H2,1H3,(H,14,15).
What are the key properties of 3-amino-2-cyclohexyl-1-(2,2-difluoroethyl)-1-methylguanidine?
3-amino-2-cyclohexyl-1-(2,2-difluoroethyl)-1-methylguanidine has a molecular weight of 234.29 g/mol, XLogP of 1.34, 3 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-(2,2-difluoroethyl)-1-methylguanidine is sourced from PubChem (CID 104888978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).