3-amino-2-cyclopropyl-1-methyl-1-(3,3,3-trifluoropropyl)guanidine

C8H15F3N4 — CID 104887044

IUPAC3-amino-2-cyclopropyl-1-methyl-1-(3,3,3-trifluoropropyl)guanidine
SMILESCN(CCC(F)(F)F)/C(=N\C1CC1)NN
InChIInChI=1S/C8H15F3N4/c1-15(5-4-8(9,10)11)7(14-12)13-6-2-3-6/h6H,2-5,12H2,1H3,(H,13,14)
InChIKeyRVOLKLJVOIYZOB-UHFFFAOYSA-N
MW224.23 g/mol
LogP0.85
Rot. Bonds3

About 3-amino-2-cyclopropyl-1-methyl-1-(3,3,3-trifluoropropyl)guanidine

3-amino-2-cyclopropyl-1-methyl-1-(3,3,3-trifluoropropyl)guanidine (PubChem CID 104887044) has the molecular formula C8H15F3N4 and a molecular weight of 224.23 g/mol. Its IUPAC name is 3-amino-2-cyclopropyl-1-methyl-1-(3,3,3-trifluoropropyl)guanidine.

Molecular Properties

Compound Name3-amino-2-cyclopropyl-1-methyl-1-(3,3,3-trifluoropropyl)guanidine
PubChem CID104887044
Molecular FormulaC8H15F3N4
Molecular Weight224.23 g/mol
Exact Mass224.12
IUPAC Name3-amino-2-cyclopropyl-1-methyl-1-(3,3,3-trifluoropropyl)guanidine
SMILESCN(CCC(F)(F)F)/C(=N\C1CC1)NN
InChIInChI=1S/C8H15F3N4/c1-15(5-4-8(9,10)11)7(14-12)13-6-2-3-6/h6H,2-5,12H2,1H3,(H,13,14)
InChIKeyRVOLKLJVOIYZOB-UHFFFAOYSA-N
XLogP0.85
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 50.85
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-2-cyclohexyl-1-methyl-1-(3,3,3-trifluoropropyl)guanidine
CID 104887040
3-amino-1-methyl-2-propan-2-yl-1-(3,3,3-trifluoropropyl)guanidine
CID 104887042
3-amino-1-(cyclopentylmethyl)-2-cyclopropyl-1-methylguanidine
CID 104886066
3-amino-2-cyclopentyl-1-(2,2-dimethylpropyl)-1-methylguanidine
CID 104885238
3-amino-2-cyclohexyl-1-(2-methoxyethyl)-1-methylguanidine
CID 104885414
3-amino-2-cyclopentyl-1-(3-methoxypropyl)-1-methylguanidine
CID 104885884
3-amino-2-cyclohexyl-1-(2-ethoxyethyl)-1-methylguanidine
CID 104887487
3-amino-2-cyclohexyl-1-(cyclopropylmethyl)-1-methylguanidine
CID 104884329
3-amino-2-cyclopropyl-1,1-bis(2-methoxyethyl)guanidine
CID 104885359
3-amino-2-cyclopentyl-1-methyl-1-(2-methylbutyl)guanidine
CID 104883686
3-amino-2-cyclohexyl-1,1-dimethylguanidine
CID 104883392
3-amino-1-[(5-chlorothiophen-2-yl)methyl]-2-cyclopropyl-1-methylguanidine
CID 116513845

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-cyclopropyl-1-methyl-1-(3,3,3-trifluoropropyl)guanidine?
The IUPAC name of 3-amino-2-cyclopropyl-1-methyl-1-(3,3,3-trifluoropropyl)guanidine (CID 104887044) is 3-amino-2-cyclopropyl-1-methyl-1-(3,3,3-trifluoropropyl)guanidine.
What is the SMILES notation for 3-amino-2-cyclopropyl-1-methyl-1-(3,3,3-trifluoropropyl)guanidine?
The canonical SMILES for 3-amino-2-cyclopropyl-1-methyl-1-(3,3,3-trifluoropropyl)guanidine is CN(CCC(F)(F)F)/C(=N\C1CC1)NN.
What is the InChIKey of 3-amino-2-cyclopropyl-1-methyl-1-(3,3,3-trifluoropropyl)guanidine?
The InChIKey is RVOLKLJVOIYZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N4/c1-15(5-4-8(9,10)11)7(14-12)13-6-2-3-6/h6H,2-5,12H2,1H3,(H,13,14).
What are the key properties of 3-amino-2-cyclopropyl-1-methyl-1-(3,3,3-trifluoropropyl)guanidine?
3-amino-2-cyclopropyl-1-methyl-1-(3,3,3-trifluoropropyl)guanidine has a molecular weight of 224.23 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-cyclopropyl-1-methyl-1-(3,3,3-trifluoropropyl)guanidine is sourced from PubChem (CID 104887044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).