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

C9H19F3N4 — CID 104887043

IUPAC3-amino-1-methyl-2-(2-methylpropyl)-1-(3,3,3-trifluoropropyl)guanidine
SMILESCC(C)C/N=C(/NN)N(C)CCC(F)(F)F
InChIInChI=1S/C9H19F3N4/c1-7(2)6-14-8(15-13)16(3)5-4-9(10,11)12/h7H,4-6,13H2,1-3H3,(H,14,15)
InChIKeyGWZGUFWAEAHULG-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.35
Rot. Bonds4

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

3-amino-1-methyl-2-(2-methylpropyl)-1-(3,3,3-trifluoropropyl)guanidine (PubChem CID 104887043) has the molecular formula C9H19F3N4 and a molecular weight of 240.27 g/mol. Its IUPAC name is 3-amino-1-methyl-2-(2-methylpropyl)-1-(3,3,3-trifluoropropyl)guanidine.

Molecular Properties

Compound Name3-amino-1-methyl-2-(2-methylpropyl)-1-(3,3,3-trifluoropropyl)guanidine
PubChem CID104887043
Molecular FormulaC9H19F3N4
Molecular Weight240.27 g/mol
Exact Mass240.16
IUPAC Name3-amino-1-methyl-2-(2-methylpropyl)-1-(3,3,3-trifluoropropyl)guanidine
SMILESCC(C)C/N=C(/NN)N(C)CCC(F)(F)F
InChIInChI=1S/C9H19F3N4/c1-7(2)6-14-8(15-13)16(3)5-4-9(10,11)12/h7H,4-6,13H2,1-3H3,(H,14,15)
InChIKeyGWZGUFWAEAHULG-UHFFFAOYSA-N
XLogP1.35
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.35
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

N'-[N-amino-N-(2-methylpropyl)carbamimidoyl]-2,2,2-trifluoroethanimidamide;ethane
CID 144561770
3-Amino-1,2-dimethyl-1-(2,2,2-trifluoroethyl)guanidine
CID 104882030
3-Amino-2-methyl-1-propyl-1-(2,2,2-trifluoroethyl)guanidine
CID 104882060
3-Amino-1,2-dimethyl-1-(3,3,3-trifluoropropyl)guanidine
CID 104882312
3-Amino-1-(2,2-difluoroethyl)-1,2-dimethylguanidine
CID 104882497
1-Amino-3-(2-methylpropyl)-2-(2,2,2-trifluoroethyl)guanidine
CID 104883047
3-Amino-2-butyl-1-methyl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884156
3-Amino-2-ethyl-1-methyl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884158
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-ethyl-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884424

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-methyl-2-(2-methylpropyl)-1-(3,3,3-trifluoropropyl)guanidine?
The IUPAC name of 3-amino-1-methyl-2-(2-methylpropyl)-1-(3,3,3-trifluoropropyl)guanidine (CID 104887043) is 3-amino-1-methyl-2-(2-methylpropyl)-1-(3,3,3-trifluoropropyl)guanidine.
What is the SMILES notation for 3-amino-1-methyl-2-(2-methylpropyl)-1-(3,3,3-trifluoropropyl)guanidine?
The canonical SMILES for 3-amino-1-methyl-2-(2-methylpropyl)-1-(3,3,3-trifluoropropyl)guanidine is CC(C)C/N=C(/NN)N(C)CCC(F)(F)F.
What is the InChIKey of 3-amino-1-methyl-2-(2-methylpropyl)-1-(3,3,3-trifluoropropyl)guanidine?
The InChIKey is GWZGUFWAEAHULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F3N4/c1-7(2)6-14-8(15-13)16(3)5-4-9(10,11)12/h7H,4-6,13H2,1-3H3,(H,14,15).
What are the key properties of 3-amino-1-methyl-2-(2-methylpropyl)-1-(3,3,3-trifluoropropyl)guanidine?
3-amino-1-methyl-2-(2-methylpropyl)-1-(3,3,3-trifluoropropyl)guanidine has a molecular weight of 240.27 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-methyl-2-(2-methylpropyl)-1-(3,3,3-trifluoropropyl)guanidine is sourced from PubChem (CID 104887043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).