1-Methyl-2-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)guanidine

C8H16F3N3 — CID 62363435

IUPAC1-methyl-2-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)guanidine
SMILESCC(C)CN=C(N)N(C)CC(F)(F)F
InChIInChI=1S/C8H16F3N3/c1-6(2)4-13-7(12)14(3)5-8(9,10)11/h6H,4-5H2,1-3H3,(H2,12,13)
InChIKeyODHBHTNTSLWYNY-UHFFFAOYSA-N
MW211.23 g/mol
LogP1.70
Rot. Bonds4

About 1-Methyl-2-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)guanidine

1-Methyl-2-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)guanidine (PubChem CID 62363435) has the molecular formula C8H16F3N3 and a molecular weight of 211.23 g/mol. Its IUPAC name is 1-methyl-2-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)guanidine.

Molecular Properties

Compound Name1-Methyl-2-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)guanidine
PubChem CID62363435
Molecular FormulaC8H16F3N3
Molecular Weight211.23 g/mol
Exact Mass211.13
IUPAC Name1-methyl-2-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)guanidine
SMILESCC(C)CN=C(N)N(C)CC(F)(F)F
InChIInChI=1S/C8H16F3N3/c1-6(2)4-13-7(12)14(3)5-8(9,10)11/h6H,4-5H2,1-3H3,(H2,12,13)
InChIKeyODHBHTNTSLWYNY-UHFFFAOYSA-N
XLogP1.70
TPSA41.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity198

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,2-Dimethyl-1-(2,2,2-trifluoroethyl)guanidine
CID 62358406
2-(2-Methylpropyl)-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine
CID 62361475
1-Ethyl-2-propyl-1-(2,2,2-trifluoroethyl)guanidine
CID 62362805
1-Ethyl-2-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine
CID 62362806
2-Tert-butyl-1-ethyl-1-(2,2,2-trifluoroethyl)guanidine
CID 62362808
1-Ethyl-2-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)guanidine
CID 62363022
2-Ethyl-1-methyl-1-(2,2,2-trifluoroethyl)guanidine
CID 62363210
1-Methyl-2-propyl-1-(2,2,2-trifluoroethyl)guanidine
CID 62363211
2-Tert-butyl-1-methyl-1-(2,2,2-trifluoroethyl)guanidine
CID 62363434
1-Cyclopropyl-2-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)guanidine
CID 62364341
2-Ethyl-1-propyl-1-(2,2,2-trifluoroethyl)guanidine
CID 62364342
1,2-Dipropyl-1-(2,2,2-trifluoroethyl)guanidine
CID 62364343

Frequently Asked Questions

What is the IUPAC name of 1-Methyl-2-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)guanidine?
The IUPAC name of 1-Methyl-2-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)guanidine (CID 62363435) is 1-methyl-2-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)guanidine.
What is the SMILES notation for 1-Methyl-2-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)guanidine?
The canonical SMILES for 1-Methyl-2-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)guanidine is CC(C)CN=C(N)N(C)CC(F)(F)F.
What is the InChIKey of 1-Methyl-2-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)guanidine?
The InChIKey is ODHBHTNTSLWYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3N3/c1-6(2)4-13-7(12)14(3)5-8(9,10)11/h6H,4-5H2,1-3H3,(H2,12,13).
What are the key properties of 1-Methyl-2-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)guanidine?
1-Methyl-2-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)guanidine has a molecular weight of 211.23 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-Methyl-2-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)guanidine is sourced from PubChem (CID 62363435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).