1-amino-2-[(3,3-difluorocyclobutyl)methyl]-3-ethylguanidine

C8H16F2N4 — CID 130878893

IUPAC1-amino-2-[(3,3-difluorocyclobutyl)methyl]-3-ethylguanidine
SMILESCCN/C(=N\CC1CC(F)(F)C1)NN
InChIInChI=1S/C8H16F2N4/c1-2-12-7(14-11)13-5-6-3-8(9,10)4-6/h6H,2-5,11H2,1H3,(H2,12,13,14)
InChIKeyFYICUSBQRGLECV-UHFFFAOYSA-N
MW206.24 g/mol
LogP0.46
Rot. Bonds3

About 1-amino-2-[(3,3-difluorocyclobutyl)methyl]-3-ethylguanidine

1-amino-2-[(3,3-difluorocyclobutyl)methyl]-3-ethylguanidine (PubChem CID 130878893) has the molecular formula C8H16F2N4 and a molecular weight of 206.24 g/mol. Its IUPAC name is 1-amino-2-[(3,3-difluorocyclobutyl)methyl]-3-ethylguanidine.

Molecular Properties

Compound Name1-amino-2-[(3,3-difluorocyclobutyl)methyl]-3-ethylguanidine
PubChem CID130878893
Molecular FormulaC8H16F2N4
Molecular Weight206.24 g/mol
Exact Mass206.13
IUPAC Name1-amino-2-[(3,3-difluorocyclobutyl)methyl]-3-ethylguanidine
SMILESCCN/C(=N\CC1CC(F)(F)C1)NN
InChIInChI=1S/C8H16F2N4/c1-2-12-7(14-11)13-5-6-3-8(9,10)4-6/h6H,2-5,11H2,1H3,(H2,12,13,14)
InChIKeyFYICUSBQRGLECV-UHFFFAOYSA-N
XLogP0.46
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 50.46
H-Bond Donors ≤ 53
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

1-amino-3-ethyl-2-(oxan-4-ylmethyl)guanidine
CID 104886091
1-amino-3-ethyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]guanidine
CID 104884569
N'-[(3,3-difluorocyclobutyl)methyl]propanimidamide
CID 131162776
1-amino-2-(2,3-dimethylbutyl)-3-ethylguanidine
CID 104886880
N-ethyl-2-[[ethylamino(hydrazinyl)methylidene]amino]acetamide
CID 104883987
1-amino-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine
CID 104885802
2-(cyclobutylmethyl)-1-ethyl-3-(3-methylbutan-2-yl)guanidine
CID 119116780
1-amino-3-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine
CID 104886394
1-amino-2-[2-[cyclopropyl(methyl)amino]ethyl]-3-ethylguanidine
CID 104885761
1-amino-3-ethyl-2-(4,4,4-trifluorobutyl)guanidine
CID 104888051
1-amino-2-[2-[di(propan-2-yl)amino]ethyl]-3-ethylguanidine
CID 104882910
1-(2,2-dimethylcyclopropyl)-3-ethyl-2-(oxan-4-ylmethyl)guanidine
CID 119151483

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[(3,3-difluorocyclobutyl)methyl]-3-ethylguanidine?
The IUPAC name of 1-amino-2-[(3,3-difluorocyclobutyl)methyl]-3-ethylguanidine (CID 130878893) is 1-amino-2-[(3,3-difluorocyclobutyl)methyl]-3-ethylguanidine.
What is the SMILES notation for 1-amino-2-[(3,3-difluorocyclobutyl)methyl]-3-ethylguanidine?
The canonical SMILES for 1-amino-2-[(3,3-difluorocyclobutyl)methyl]-3-ethylguanidine is CCN/C(=N\CC1CC(F)(F)C1)NN.
What is the InChIKey of 1-amino-2-[(3,3-difluorocyclobutyl)methyl]-3-ethylguanidine?
The InChIKey is FYICUSBQRGLECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2N4/c1-2-12-7(14-11)13-5-6-3-8(9,10)4-6/h6H,2-5,11H2,1H3,(H2,12,13,14).
What are the key properties of 1-amino-2-[(3,3-difluorocyclobutyl)methyl]-3-ethylguanidine?
1-amino-2-[(3,3-difluorocyclobutyl)methyl]-3-ethylguanidine has a molecular weight of 206.24 g/mol, XLogP of 0.46, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[(3,3-difluorocyclobutyl)methyl]-3-ethylguanidine is sourced from PubChem (CID 130878893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).