3-amino-1-(2,2-difluoroethyl)-1-methyl-2-propylguanidine

C7H16F2N4 — CID 104888977

IUPAC3-amino-1-(2,2-difluoroethyl)-1-methyl-2-propylguanidine
SMILESCCC/N=C(/NN)N(C)CC(F)F
InChIInChI=1S/C7H16F2N4/c1-3-4-11-7(12-10)13(2)5-6(8)9/h6H,3-5,10H2,1-2H3,(H,11,12)
InChIKeyQAUDENJFHCZZHD-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.41
Rot. Bonds4

About 3-amino-1-(2,2-difluoroethyl)-1-methyl-2-propylguanidine

3-amino-1-(2,2-difluoroethyl)-1-methyl-2-propylguanidine (PubChem CID 104888977) has the molecular formula C7H16F2N4 and a molecular weight of 194.23 g/mol. Its IUPAC name is 3-amino-1-(2,2-difluoroethyl)-1-methyl-2-propylguanidine.

Molecular Properties

Compound Name3-amino-1-(2,2-difluoroethyl)-1-methyl-2-propylguanidine
PubChem CID104888977
Molecular FormulaC7H16F2N4
Molecular Weight194.23 g/mol
Exact Mass194.13
IUPAC Name3-amino-1-(2,2-difluoroethyl)-1-methyl-2-propylguanidine
SMILESCCC/N=C(/NN)N(C)CC(F)F
InChIInChI=1S/C7H16F2N4/c1-3-4-11-7(12-10)13(2)5-6(8)9/h6H,3-5,10H2,1-2H3,(H,11,12)
InChIKeyQAUDENJFHCZZHD-UHFFFAOYSA-N
XLogP0.41
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.41
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

3-amino-1-ethyl-1-(2-methylpropyl)-2-propylguanidine
CID 104883496
3-amino-1,1,2-tripropylguanidine
CID 104883381
3-amino-1-ethyl-1-(2-methylbutyl)-2-propylguanidine
CID 104887379
3-amino-1-ethyl-1-propan-2-yl-2-propylguanidine
CID 104883542
3-amino-1-methyl-2-propyl-1-(2-pyrrolidin-1-ylethyl)guanidine
CID 104885892
3-amino-1-butan-2-yl-1-ethyl-2-propylguanidine
CID 104883649
3-amino-2-butyl-1-methyl-1-pentan-3-ylguanidine
CID 104884016
3-amino-2-butyl-1-[2-(dimethylamino)ethyl]-1-methylguanidine
CID 104886352
3-amino-1-butyl-1-ethyl-2-propylguanidine
CID 104883414
3-amino-1-methyl-2-propyl-1-(2-pyridin-4-ylethyl)guanidine
CID 116513513
3-amino-1-(2-methoxyethyl)-1-(2-methylpropyl)-2-propylguanidine
CID 104884542
3-amino-2-butyl-1-ethyl-1-(2-ethylbutyl)guanidine
CID 104884793

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2,2-difluoroethyl)-1-methyl-2-propylguanidine?
The IUPAC name of 3-amino-1-(2,2-difluoroethyl)-1-methyl-2-propylguanidine (CID 104888977) is 3-amino-1-(2,2-difluoroethyl)-1-methyl-2-propylguanidine.
What is the SMILES notation for 3-amino-1-(2,2-difluoroethyl)-1-methyl-2-propylguanidine?
The canonical SMILES for 3-amino-1-(2,2-difluoroethyl)-1-methyl-2-propylguanidine is CCC/N=C(/NN)N(C)CC(F)F.
What is the InChIKey of 3-amino-1-(2,2-difluoroethyl)-1-methyl-2-propylguanidine?
The InChIKey is QAUDENJFHCZZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16F2N4/c1-3-4-11-7(12-10)13(2)5-6(8)9/h6H,3-5,10H2,1-2H3,(H,11,12).
What are the key properties of 3-amino-1-(2,2-difluoroethyl)-1-methyl-2-propylguanidine?
3-amino-1-(2,2-difluoroethyl)-1-methyl-2-propylguanidine has a molecular weight of 194.23 g/mol, XLogP of 0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2,2-difluoroethyl)-1-methyl-2-propylguanidine is sourced from PubChem (CID 104888977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).