3-amino-2-(2-methylpropyl)-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine

C10H21F3N4 — CID 104884429

IUPAC3-amino-2-(2-methylpropyl)-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine
SMILESCC(C)C/N=C(\NN)N(CC(F)(F)F)C(C)C
InChIInChI=1S/C10H21F3N4/c1-7(2)5-15-9(16-14)17(8(3)4)6-10(11,12)13/h7-8H,5-6,14H2,1-4H3,(H,15,16)
InChIKeyJWDUEHCXJHLLFM-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.73
Rot. Bonds4

About 3-amino-2-(2-methylpropyl)-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine

3-amino-2-(2-methylpropyl)-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine (PubChem CID 104884429) has the molecular formula C10H21F3N4 and a molecular weight of 254.30 g/mol. Its IUPAC name is 3-amino-2-(2-methylpropyl)-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine.

Molecular Properties

Compound Name3-amino-2-(2-methylpropyl)-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine
PubChem CID104884429
Molecular FormulaC10H21F3N4
Molecular Weight254.30 g/mol
Exact Mass254.17
IUPAC Name3-amino-2-(2-methylpropyl)-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine
SMILESCC(C)C/N=C(\NN)N(CC(F)(F)F)C(C)C
InChIInChI=1S/C10H21F3N4/c1-7(2)5-15-9(16-14)17(8(3)4)6-10(11,12)13/h7-8H,5-6,14H2,1-4H3,(H,15,16)
InChIKeyJWDUEHCXJHLLFM-UHFFFAOYSA-N
XLogP1.73
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.73
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-(2-Methylpropyl)-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine
CID 62361475
3-Amino-2-methyl-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine
CID 104882055
3-Amino-1-ethyl-2-methyl-1-(2,2,2-trifluoroethyl)guanidine
CID 104882056
3-Amino-1-cyclopropyl-2-methyl-1-(2,2,2-trifluoroethyl)guanidine
CID 104882058
3-Amino-2-methyl-1-propyl-1-(2,2,2-trifluoroethyl)guanidine
CID 104882060
3-Amino-2-butyl-1-methyl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884156
3-Amino-1-methyl-2-propyl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884159
3-Amino-1-methyl-2-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884162
3-Amino-1-methyl-2-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)guanidine
CID 104884163
3-Amino-2-cyclopropyl-1-methyl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884164
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

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2-methylpropyl)-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine?
The IUPAC name of 3-amino-2-(2-methylpropyl)-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine (CID 104884429) is 3-amino-2-(2-methylpropyl)-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine.
What is the SMILES notation for 3-amino-2-(2-methylpropyl)-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine?
The canonical SMILES for 3-amino-2-(2-methylpropyl)-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine is CC(C)C/N=C(\NN)N(CC(F)(F)F)C(C)C.
What is the InChIKey of 3-amino-2-(2-methylpropyl)-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine?
The InChIKey is JWDUEHCXJHLLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F3N4/c1-7(2)5-15-9(16-14)17(8(3)4)6-10(11,12)13/h7-8H,5-6,14H2,1-4H3,(H,15,16).
What are the key properties of 3-amino-2-(2-methylpropyl)-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine?
3-amino-2-(2-methylpropyl)-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine has a molecular weight of 254.30 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2-methylpropyl)-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine is sourced from PubChem (CID 104884429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).