1-ethyl-3-[2-[ethyl(methyl)amino]ethyl]-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide

C11H24F3IN4 — CID 109474842

IUPAC1-ethyl-3-[2-[ethyl(methyl)amino]ethyl]-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide
SMILESCCN/C(=N\CCC(F)(F)F)NCCN(C)CC.I
InChIInChI=1S/C11H23F3N4.HI/c1-4-15-10(16-7-6-11(12,13)14)17-8-9-18(3)5-2;/h4-9H2,1-3H3,(H2,15,16,17);1H
InChIKeyLXHAGVVVCIXEOV-UHFFFAOYSA-N
MW396.24 g/mol
LogP2.06
Rot. Bonds7

About 1-ethyl-3-[2-[ethyl(methyl)amino]ethyl]-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide

1-ethyl-3-[2-[ethyl(methyl)amino]ethyl]-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide (PubChem CID 109474842) has the molecular formula C11H24F3IN4 and a molecular weight of 396.24 g/mol. Its IUPAC name is 1-ethyl-3-[2-[ethyl(methyl)amino]ethyl]-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-3-[2-[ethyl(methyl)amino]ethyl]-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide
PubChem CID109474842
Molecular FormulaC11H24F3IN4
Molecular Weight396.24 g/mol
Exact Mass396.10
IUPAC Name1-ethyl-3-[2-[ethyl(methyl)amino]ethyl]-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide
SMILESCCN/C(=N\CCC(F)(F)F)NCCN(C)CC.I
InChIInChI=1S/C11H23F3N4.HI/c1-4-15-10(16-7-6-11(12,13)14)17-8-9-18(3)5-2;/h4-9H2,1-3H3,(H2,15,16,17);1H
InChIKeyLXHAGVVVCIXEOV-UHFFFAOYSA-N
XLogP2.06
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.24
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

N-(2-fluoroethyl)-1-propan-2-yl-4,5-dihydroimidazol-2-amine
CID 117682042
N-(2-fluoroethyl)-1-propyl-4,5-dihydroimidazol-2-amine
CID 146245866
1-Cyano-2-[2-(dimethylamino)ethyl]-3-(2-fluoroethyl)guanidine
CID 155782437
1-[3-[Methyl(2,2,2-trifluoroethyl)amino]propyl]-2-propylguanidine;hydroiodide
CID 75532965
1-[3-[Methyl(2,2,2-trifluoroethyl)amino]propyl]-2-propylguanidine
CID 75532966
N-[2-[di(propan-2-yl)amino]ethyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 109376204
N-ethyl-4-(1,1,1-trifluoropropan-2-yl)-N'-(3,3,3-trifluoropropyl)piperazine-1-carboximidamide;hydroiodide
CID 109376304
N-ethyl-4-(1,1,1-trifluoropropan-2-yl)-N'-(3,3,3-trifluoropropyl)piperazine-1-carboximidamide
CID 109376305
N-ethyl-N'-[2-[ethyl(propan-2-yl)amino]ethyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 109376368
N,N'-diethyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 109376408
N,N'-diethyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109376409
N-ethyl-N'-propyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 109376454

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-[ethyl(methyl)amino]ethyl]-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide?
The IUPAC name of 1-ethyl-3-[2-[ethyl(methyl)amino]ethyl]-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide (CID 109474842) is 1-ethyl-3-[2-[ethyl(methyl)amino]ethyl]-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-3-[2-[ethyl(methyl)amino]ethyl]-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-3-[2-[ethyl(methyl)amino]ethyl]-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide is CCN/C(=N\CCC(F)(F)F)NCCN(C)CC.I.
What is the InChIKey of 1-ethyl-3-[2-[ethyl(methyl)amino]ethyl]-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide?
The InChIKey is LXHAGVVVCIXEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F3N4.HI/c1-4-15-10(16-7-6-11(12,13)14)17-8-9-18(3)5-2;/h4-9H2,1-3H3,(H2,15,16,17);1H.
What are the key properties of 1-ethyl-3-[2-[ethyl(methyl)amino]ethyl]-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide?
1-ethyl-3-[2-[ethyl(methyl)amino]ethyl]-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide has a molecular weight of 396.24 g/mol, XLogP of 2.06, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-[ethyl(methyl)amino]ethyl]-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide is sourced from PubChem (CID 109474842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).