1-cyclopropyl-2-methyl-1-(2,2,2-trifluoroethyl)guanidine

C7H12F3N3 — CID 62358421

IUPAC1-cyclopropyl-2-methyl-1-(2,2,2-trifluoroethyl)guanidine
SMILESC/N=C(\N)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C7H12F3N3/c1-12-6(11)13(5-2-3-5)4-7(8,9)10/h5H,2-4H2,1H3,(H2,11,12)
InChIKeyQTTRFRSKIJUJKD-UHFFFAOYSA-N
MW195.19 g/mol
LogP0.96
Rot. Bonds2

About 1-cyclopropyl-2-methyl-1-(2,2,2-trifluoroethyl)guanidine

1-cyclopropyl-2-methyl-1-(2,2,2-trifluoroethyl)guanidine (PubChem CID 62358421) has the molecular formula C7H12F3N3 and a molecular weight of 195.19 g/mol. Its IUPAC name is 1-cyclopropyl-2-methyl-1-(2,2,2-trifluoroethyl)guanidine.

Molecular Properties

Compound Name1-cyclopropyl-2-methyl-1-(2,2,2-trifluoroethyl)guanidine
PubChem CID62358421
Molecular FormulaC7H12F3N3
Molecular Weight195.19 g/mol
Exact Mass195.10
IUPAC Name1-cyclopropyl-2-methyl-1-(2,2,2-trifluoroethyl)guanidine
SMILESC/N=C(\N)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C7H12F3N3/c1-12-6(11)13(5-2-3-5)4-7(8,9)10/h5H,2-4H2,1H3,(H2,11,12)
InChIKeyQTTRFRSKIJUJKD-UHFFFAOYSA-N
XLogP0.96
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.19
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-cyclopropyl-2-methyl-1-(2,2,2-trifluoroethyl)guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-cyclopropyl-N-(2,2,2-trifluoroethyl)carbamate
CID 63789055
2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxyethanimidamide
CID 76912585
N-cyclopropyl-2-(N'-hydroxycarbamimidoyl)-N-(2,2,2-trifluoroethyl)pentanamide
CID 76923868
3-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 64835048
2-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)butanediamide
CID 55008888
2-(aminomethyl)-N-cyclopropyl-2-methyl-N-(2,2,2-trifluoroethyl)butanamide
CID 114290544
N-methyl-N-(2,2,2-trifluoroethyl)cyclopropanamine;hydrochloride
CID 90259041
2-N-cyclopropyl-2-ethyl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine
CID 114996634
1,1-dicyclopentyl-2-methylguanidine
CID 68865580
4-amino-N-cyclopropyl-1-ethyl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
CID 55006736
N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 116655125
2-amino-4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methylpentan-1-ol
CID 64827880

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-methyl-1-(2,2,2-trifluoroethyl)guanidine?
The IUPAC name of 1-cyclopropyl-2-methyl-1-(2,2,2-trifluoroethyl)guanidine (CID 62358421) is 1-cyclopropyl-2-methyl-1-(2,2,2-trifluoroethyl)guanidine.
What is the SMILES notation for 1-cyclopropyl-2-methyl-1-(2,2,2-trifluoroethyl)guanidine?
The canonical SMILES for 1-cyclopropyl-2-methyl-1-(2,2,2-trifluoroethyl)guanidine is C/N=C(\N)N(CC(F)(F)F)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-methyl-1-(2,2,2-trifluoroethyl)guanidine?
The InChIKey is QTTRFRSKIJUJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3N3/c1-12-6(11)13(5-2-3-5)4-7(8,9)10/h5H,2-4H2,1H3,(H2,11,12).
What are the key properties of 1-cyclopropyl-2-methyl-1-(2,2,2-trifluoroethyl)guanidine?
1-cyclopropyl-2-methyl-1-(2,2,2-trifluoroethyl)guanidine has a molecular weight of 195.19 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-methyl-1-(2,2,2-trifluoroethyl)guanidine is sourced from PubChem (CID 62358421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).