1-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-2-propylguanidine

C10H21F3N4 — CID 75532966

IUPAC1-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-2-propylguanidine
SMILESCCC/N=C(\N)NCCCN(C)CC(F)(F)F
InChIInChI=1S/C10H21F3N4/c1-3-5-15-9(14)16-6-4-7-17(2)8-10(11,12)13/h3-8H2,1-2H3,(H3,14,15,16)
InChIKeyPLMFMWWLVHDVOV-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.18
Rot. Bonds7

About 1-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-2-propylguanidine

1-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-2-propylguanidine (PubChem CID 75532966) has the molecular formula C10H21F3N4 and a molecular weight of 254.30 g/mol. Its IUPAC name is 1-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-2-propylguanidine.

Molecular Properties

Compound Name1-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-2-propylguanidine
PubChem CID75532966
Molecular FormulaC10H21F3N4
Molecular Weight254.30 g/mol
Exact Mass254.17
IUPAC Name1-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-2-propylguanidine
SMILESCCC/N=C(\N)NCCCN(C)CC(F)(F)F
InChIInChI=1S/C10H21F3N4/c1-3-5-15-9(14)16-6-4-7-17(2)8-10(11,12)13/h3-8H2,1-2H3,(H3,14,15,16)
InChIKeyPLMFMWWLVHDVOV-UHFFFAOYSA-N
XLogP1.18
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Butyl-3-(diaminomethylidene)-2-(2,2,2-trifluoroethyl)guanidine;hydrochloride
CID 88835261
1-Butyl-3-(diaminomethylidene)-2-(2,2,2-trifluoroethyl)guanidine
CID 54154963
N'-methyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 56801272
N'-methyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]pyrrolidine-1-carboximidamide
CID 56801273
2-Methyl-1-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine
CID 62313815
1-Ethyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine
CID 62361982
1-Propyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine
CID 62361983
1-Propyl-2-(2,2,2-trifluoroethyl)guanidine
CID 62362178
2-(2-Methylpropyl)-1-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine
CID 62362204
1-Ethyl-2-propyl-1-(2,2,2-trifluoroethyl)guanidine
CID 62362805
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-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-2-propylguanidine?
The IUPAC name of 1-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-2-propylguanidine (CID 75532966) is 1-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-2-propylguanidine.
What is the SMILES notation for 1-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-2-propylguanidine?
The canonical SMILES for 1-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-2-propylguanidine is CCC/N=C(\N)NCCCN(C)CC(F)(F)F.
What is the InChIKey of 1-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-2-propylguanidine?
The InChIKey is PLMFMWWLVHDVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F3N4/c1-3-5-15-9(14)16-6-4-7-17(2)8-10(11,12)13/h3-8H2,1-2H3,(H3,14,15,16).
What are the key properties of 1-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-2-propylguanidine?
1-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-2-propylguanidine has a molecular weight of 254.30 g/mol, XLogP of 1.18, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-2-propylguanidine is sourced from PubChem (CID 75532966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).