1-cyclopentyl-2-[[1-(trifluoromethyl)cyclopropyl]methyl]guanidine;hydroiodide

C11H19F3IN3 — CID 120973282

IUPAC1-cyclopentyl-2-[[1-(trifluoromethyl)cyclopropyl]methyl]guanidine;hydroiodide
SMILESI.N/C(=N\CC1(C(F)(F)F)CC1)NC1CCCC1
InChIInChI=1S/C11H18F3N3.HI/c12-11(13,14)10(5-6-10)7-16-9(15)17-8-3-1-2-4-8;/h8H,1-7H2,(H3,15,16,17);1H
InChIKeyXHWXFZITTUIPCR-UHFFFAOYSA-N
MW377.19 g/mol
LogP2.79
Rot. Bonds3

About 1-cyclopentyl-2-[[1-(trifluoromethyl)cyclopropyl]methyl]guanidine;hydroiodide

1-cyclopentyl-2-[[1-(trifluoromethyl)cyclopropyl]methyl]guanidine;hydroiodide (PubChem CID 120973282) has the molecular formula C11H19F3IN3 and a molecular weight of 377.19 g/mol. Its IUPAC name is 1-cyclopentyl-2-[[1-(trifluoromethyl)cyclopropyl]methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclopentyl-2-[[1-(trifluoromethyl)cyclopropyl]methyl]guanidine;hydroiodide
PubChem CID120973282
Molecular FormulaC11H19F3IN3
Molecular Weight377.19 g/mol
Exact Mass377.06
IUPAC Name1-cyclopentyl-2-[[1-(trifluoromethyl)cyclopropyl]methyl]guanidine;hydroiodide
SMILESI.N/C(=N\CC1(C(F)(F)F)CC1)NC1CCCC1
InChIInChI=1S/C11H18F3N3.HI/c12-11(13,14)10(5-6-10)7-16-9(15)17-8-3-1-2-4-8;/h8H,1-7H2,(H3,15,16,17);1H
InChIKeyXHWXFZITTUIPCR-UHFFFAOYSA-N
XLogP2.79
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.19
LogP ≤ 52.79
H-Bond Donors ≤ 52
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-cyclohexyl-2-[[1-(hydroxymethyl)cyclohexyl]methyl]guanidine
CID 112697611
2-[(1-cyanocyclobutyl)methyl]-1-cycloheptylguanidine
CID 122099517
1-cyclopentyl-2-[(3-methyloxolan-3-yl)methyl]guanidine;hydroiodide
CID 119147527
2-[1-[[[amino-(cycloheptylamino)methylidene]amino]methyl]cyclopropyl]acetamide
CID 122101737
1-cyclopentyl-2-[(1-methylsulfonylcyclopentyl)methyl]guanidine
CID 120973749
1-cyclohexyl-2-[(1-phenylcyclopropyl)methyl]guanidine;hydroiodide
CID 111038799
1-[[[amino-(cyclopentylamino)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydroiodide
CID 119147730
1-cyclohexyl-2-[[1-(2-fluorophenyl)cyclopropyl]methyl]guanidine;hydroiodide
CID 111816619
1-cyclopentyl-2-[(4-pyrrolidin-1-yloxan-4-yl)methyl]guanidine;hydroiodide
CID 119146934
1-cyclopropyl-2-[(1-methylsulfanylcyclopropyl)methyl]guanidine
CID 107265845
1-cyclopentyl-2-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]guanidine
CID 119151899
1-cyclohexyl-2-[(3-methyloxetan-3-yl)methyl]guanidine
CID 111810434

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-[[1-(trifluoromethyl)cyclopropyl]methyl]guanidine;hydroiodide?
The IUPAC name of 1-cyclopentyl-2-[[1-(trifluoromethyl)cyclopropyl]methyl]guanidine;hydroiodide (CID 120973282) is 1-cyclopentyl-2-[[1-(trifluoromethyl)cyclopropyl]methyl]guanidine;hydroiodide.
What is the SMILES notation for 1-cyclopentyl-2-[[1-(trifluoromethyl)cyclopropyl]methyl]guanidine;hydroiodide?
The canonical SMILES for 1-cyclopentyl-2-[[1-(trifluoromethyl)cyclopropyl]methyl]guanidine;hydroiodide is I.N/C(=N\CC1(C(F)(F)F)CC1)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-[[1-(trifluoromethyl)cyclopropyl]methyl]guanidine;hydroiodide?
The InChIKey is XHWXFZITTUIPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3.HI/c12-11(13,14)10(5-6-10)7-16-9(15)17-8-3-1-2-4-8;/h8H,1-7H2,(H3,15,16,17);1H.
What are the key properties of 1-cyclopentyl-2-[[1-(trifluoromethyl)cyclopropyl]methyl]guanidine;hydroiodide?
1-cyclopentyl-2-[[1-(trifluoromethyl)cyclopropyl]methyl]guanidine;hydroiodide has a molecular weight of 377.19 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-[[1-(trifluoromethyl)cyclopropyl]methyl]guanidine;hydroiodide is sourced from PubChem (CID 120973282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).