N-ethyl-3-methyl-3-propyl-N'-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide;hydroiodide

C15H29F3IN3 — CID 109490186

IUPACN-ethyl-3-methyl-3-propyl-N'-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide;hydroiodide
SMILESCCCC1(C)CCCN(/C(=N/CCC(F)(F)F)NCC)C1.I
InChIInChI=1S/C15H28F3N3.HI/c1-4-7-14(3)8-6-11-21(12-14)13(19-5-2)20-10-9-15(16,17)18;/h4-12H2,1-3H3,(H,19,20);1H
InChIKeyKJNJFBNZMKFRQU-UHFFFAOYSA-N
MW435.32 g/mol
LogP4.42
Rot. Bonds5

About N-ethyl-3-methyl-3-propyl-N'-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide;hydroiodide

N-ethyl-3-methyl-3-propyl-N'-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide;hydroiodide (PubChem CID 109490186) has the molecular formula C15H29F3IN3 and a molecular weight of 435.32 g/mol. Its IUPAC name is N-ethyl-3-methyl-3-propyl-N'-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-ethyl-3-methyl-3-propyl-N'-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide;hydroiodide
PubChem CID109490186
Molecular FormulaC15H29F3IN3
Molecular Weight435.32 g/mol
Exact Mass435.14
IUPAC NameN-ethyl-3-methyl-3-propyl-N'-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide;hydroiodide
SMILESCCCC1(C)CCCN(/C(=N/CCC(F)(F)F)NCC)C1.I
InChIInChI=1S/C15H28F3N3.HI/c1-4-7-14(3)8-6-11-21(12-14)13(19-5-2)20-10-9-15(16,17)18;/h4-12H2,1-3H3,(H,19,20);1H
InChIKeyKJNJFBNZMKFRQU-UHFFFAOYSA-N
XLogP4.42
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.32
LogP ≤ 54.42
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-Ethyl-2-[(1-ethylcyclobutyl)methyl]-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109468806
1-[(1-Ethylcyclobutyl)methyl]-2-methyl-3-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]guanidine;hydroiodide
CID 109469256
1-[(1-Ethylcyclobutyl)methyl]-2-methyl-3-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]guanidine
CID 109469257
1-Ethyl-2-[(1-ethylcyclobutyl)methyl]-3-(5,5,5-trifluoropentyl)guanidine;hydroiodide
CID 109469266
1-[(1-Ethylcyclobutyl)methyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109469511
1-[(1-Ethylcyclobutyl)methyl]-2-methyl-3-(5,5,5-trifluoropentyl)guanidine;hydroiodide
CID 109470515
1-[(1-Ethylcyclobutyl)methyl]-2-methyl-3-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]guanidine;hydroiodide
CID 109470635
1-[(1-Ethylcyclobutyl)methyl]-2-methyl-3-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]guanidine
CID 109470636
1-[(1-Ethylcyclobutyl)methyl]-2-methyl-3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine;hydroiodide
CID 109470995
2-Methyl-1-[3-(3-methylpiperidin-1-yl)propyl]-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109471112
1-(5,5-Dimethylhexyl)-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109471360
1-(5,5-Dimethylhexyl)-2-methyl-3-(3,3,3-trifluoropropyl)guanidine
CID 109471361

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-3-propyl-N'-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-ethyl-3-methyl-3-propyl-N'-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide;hydroiodide (CID 109490186) is N-ethyl-3-methyl-3-propyl-N'-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-ethyl-3-methyl-3-propyl-N'-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-ethyl-3-methyl-3-propyl-N'-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide;hydroiodide is CCCC1(C)CCCN(/C(=N/CCC(F)(F)F)NCC)C1.I.
What is the InChIKey of N-ethyl-3-methyl-3-propyl-N'-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide;hydroiodide?
The InChIKey is KJNJFBNZMKFRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28F3N3.HI/c1-4-7-14(3)8-6-11-21(12-14)13(19-5-2)20-10-9-15(16,17)18;/h4-12H2,1-3H3,(H,19,20);1H.
What are the key properties of N-ethyl-3-methyl-3-propyl-N'-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide;hydroiodide?
N-ethyl-3-methyl-3-propyl-N'-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide;hydroiodide has a molecular weight of 435.32 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-3-propyl-N'-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 109490186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).