1-cyclopropyl-3-[2-(2,6-difluorophenyl)cyclopropyl]-2-methylguanidine;hydroiodide

C14H18F2IN3 — CID 119135603

IUPAC1-cyclopropyl-3-[2-(2,6-difluorophenyl)cyclopropyl]-2-methylguanidine;hydroiodide
SMILESC/N=C(\NC1CC1)NC1CC1c1c(F)cccc1F.I
InChIInChI=1S/C14H17F2N3.HI/c1-17-14(18-8-5-6-8)19-12-7-9(12)13-10(15)3-2-4-11(13)16;/h2-4,8-9,12H,5-7H2,1H3,(H2,17,18,19);1H
InChIKeyFQOGJFQWHSJSPU-UHFFFAOYSA-N
MW393.22 g/mol
LogP2.77
Rot. Bonds3

About 1-cyclopropyl-3-[2-(2,6-difluorophenyl)cyclopropyl]-2-methylguanidine;hydroiodide

1-cyclopropyl-3-[2-(2,6-difluorophenyl)cyclopropyl]-2-methylguanidine;hydroiodide (PubChem CID 119135603) has the molecular formula C14H18F2IN3 and a molecular weight of 393.22 g/mol. Its IUPAC name is 1-cyclopropyl-3-[2-(2,6-difluorophenyl)cyclopropyl]-2-methylguanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclopropyl-3-[2-(2,6-difluorophenyl)cyclopropyl]-2-methylguanidine;hydroiodide
PubChem CID119135603
Molecular FormulaC14H18F2IN3
Molecular Weight393.22 g/mol
Exact Mass393.05
IUPAC Name1-cyclopropyl-3-[2-(2,6-difluorophenyl)cyclopropyl]-2-methylguanidine;hydroiodide
SMILESC/N=C(\NC1CC1)NC1CC1c1c(F)cccc1F.I
InChIInChI=1S/C14H17F2N3.HI/c1-17-14(18-8-5-6-8)19-12-7-9(12)13-10(15)3-2-4-11(13)16;/h2-4,8-9,12H,5-7H2,1H3,(H2,17,18,19);1H
InChIKeyFQOGJFQWHSJSPU-UHFFFAOYSA-N
XLogP2.77
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.22
LogP ≤ 52.77
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-[2-(2,6-difluorophenyl)cyclopropyl]-3-(1,1-dioxothiolan-3-yl)-2-methylguanidine
CID 111792282
1-[2-(2,6-difluorophenyl)cyclopropyl]-2-methylguanidine;hydroiodide
CID 119147959
1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-3-(1,1-dioxothiolan-3-yl)-2-methylguanidine;hydroiodide
CID 111772305
1-butyl-3-[2-(2,6-difluorophenyl)cyclopropyl]-2-methylguanidine
CID 111792647
1-[(1R,2S)-2-(2,6-difluorophenyl)cyclopropyl]-2-methylguanidine
CID 122082415
1-benzyl-3-[2-(2,6-difluorophenyl)cyclopropyl]-2-methylguanidine
CID 111790104
1-[2-(2,6-difluorophenyl)cyclopropyl]-3-(3-methoxypropyl)-2-methylguanidine;hydroiodide
CID 111790435
1-[2-(2,6-difluorophenyl)cyclopropyl]-3-[2-(4-fluorophenyl)ethyl]-2-methylguanidine
CID 111794086
1-[2-(2,6-difluorophenyl)cyclopropyl]-3-(4-hydroxycyclohexyl)urea
CID 111422308
1-[2-(2,6-difluorophenyl)cyclopropyl]-2-methyl-3-(2-piperidin-1-ylethyl)guanidine
CID 111798406
1-[2-(2,6-difluorophenyl)cyclopropyl]-2-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]guanidine;hydroiodide
CID 119146445
1-(1-benzylpiperidin-4-yl)-3-[2-(2-fluorophenyl)cyclopropyl]-2-methylguanidine;hydroiodide
CID 110987187

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[2-(2,6-difluorophenyl)cyclopropyl]-2-methylguanidine;hydroiodide?
The IUPAC name of 1-cyclopropyl-3-[2-(2,6-difluorophenyl)cyclopropyl]-2-methylguanidine;hydroiodide (CID 119135603) is 1-cyclopropyl-3-[2-(2,6-difluorophenyl)cyclopropyl]-2-methylguanidine;hydroiodide.
What is the SMILES notation for 1-cyclopropyl-3-[2-(2,6-difluorophenyl)cyclopropyl]-2-methylguanidine;hydroiodide?
The canonical SMILES for 1-cyclopropyl-3-[2-(2,6-difluorophenyl)cyclopropyl]-2-methylguanidine;hydroiodide is C/N=C(\NC1CC1)NC1CC1c1c(F)cccc1F.I.
What is the InChIKey of 1-cyclopropyl-3-[2-(2,6-difluorophenyl)cyclopropyl]-2-methylguanidine;hydroiodide?
The InChIKey is FQOGJFQWHSJSPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3.HI/c1-17-14(18-8-5-6-8)19-12-7-9(12)13-10(15)3-2-4-11(13)16;/h2-4,8-9,12H,5-7H2,1H3,(H2,17,18,19);1H.
What are the key properties of 1-cyclopropyl-3-[2-(2,6-difluorophenyl)cyclopropyl]-2-methylguanidine;hydroiodide?
1-cyclopropyl-3-[2-(2,6-difluorophenyl)cyclopropyl]-2-methylguanidine;hydroiodide has a molecular weight of 393.22 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[2-(2,6-difluorophenyl)cyclopropyl]-2-methylguanidine;hydroiodide is sourced from PubChem (CID 119135603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).