1-cyclohexyl-2-[[1-(2-fluorophenyl)cyclopropyl]methyl]guanidine;hydroiodide

C17H25FIN3 — CID 111816619

IUPAC1-cyclohexyl-2-[[1-(2-fluorophenyl)cyclopropyl]methyl]guanidine;hydroiodide
SMILESI.N/C(=N\CC1(c2ccccc2F)CC1)NC1CCCCC1
InChIInChI=1S/C17H24FN3.HI/c18-15-9-5-4-8-14(15)17(10-11-17)12-20-16(19)21-13-6-2-1-3-7-13;/h4-5,8-9,13H,1-3,6-7,10-12H2,(H3,19,20,21);1H
InChIKeyHLPKEOJBNBCQNK-UHFFFAOYSA-N
MW417.31 g/mol
LogP3.71
Rot. Bonds4

About 1-cyclohexyl-2-[[1-(2-fluorophenyl)cyclopropyl]methyl]guanidine;hydroiodide

1-cyclohexyl-2-[[1-(2-fluorophenyl)cyclopropyl]methyl]guanidine;hydroiodide (PubChem CID 111816619) has the molecular formula C17H25FIN3 and a molecular weight of 417.31 g/mol. Its IUPAC name is 1-cyclohexyl-2-[[1-(2-fluorophenyl)cyclopropyl]methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclohexyl-2-[[1-(2-fluorophenyl)cyclopropyl]methyl]guanidine;hydroiodide
PubChem CID111816619
Molecular FormulaC17H25FIN3
Molecular Weight417.31 g/mol
Exact Mass417.11
IUPAC Name1-cyclohexyl-2-[[1-(2-fluorophenyl)cyclopropyl]methyl]guanidine;hydroiodide
SMILESI.N/C(=N\CC1(c2ccccc2F)CC1)NC1CCCCC1
InChIInChI=1S/C17H24FN3.HI/c18-15-9-5-4-8-14(15)17(10-11-17)12-20-16(19)21-13-6-2-1-3-7-13;/h4-5,8-9,13H,1-3,6-7,10-12H2,(H3,19,20,21);1H
InChIKeyHLPKEOJBNBCQNK-UHFFFAOYSA-N
XLogP3.71
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.31
LogP ≤ 53.71
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'}

Analyze 1-cyclohexyl-2-[[1-(2-fluorophenyl)cyclopropyl]methyl]guanidine;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclohexyl-2-[(1-phenylcyclopropyl)methyl]guanidine;hydroiodide
CID 111038799
2-[[1-(2-fluorophenyl)cyclopropyl]methyl]-1-propan-2-ylguanidine
CID 111816564
2-[[1-(2-fluorophenyl)cyclopropyl]methyl]-1-propylguanidine;hydroiodide
CID 111816613
2-[[1-(3-chlorophenyl)cyclopropyl]methyl]-1-cyclopentylguanidine;hydroiodide
CID 119148136
N'-[[1-(2-fluorophenyl)cyclopropyl]methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 111435820
1-ethyl-2-[[1-(2-fluorophenyl)cyclopropyl]methyl]-3-(4-hydroxycyclohexyl)guanidine
CID 111979201
N-[2-[[amino-(cyclohexylamino)methylidene]amino]ethyl]-2-fluorobenzamide;hydroiodide
CID 111075646
N'-[[1-(2-fluorophenyl)cyclopropyl]methyl]-3-methylpiperidine-1-carboximidamide
CID 111816568
2-[[4-(4-bromophenyl)oxan-4-yl]methyl]-1-cyclohexylguanidine;hydroiodide
CID 111097254
N-[2-[[amino-(cyclohexylamino)methylidene]amino]ethyl]-2-fluorobenzamide
CID 111075647
2-[[1-(2-fluorophenyl)cyclopropyl]methyl]-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111816573
1-cyclopentyl-2-[[1-(trifluoromethyl)cyclopropyl]methyl]guanidine;hydroiodide
CID 120973282

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[[1-(2-fluorophenyl)cyclopropyl]methyl]guanidine;hydroiodide?
The IUPAC name of 1-cyclohexyl-2-[[1-(2-fluorophenyl)cyclopropyl]methyl]guanidine;hydroiodide (CID 111816619) is 1-cyclohexyl-2-[[1-(2-fluorophenyl)cyclopropyl]methyl]guanidine;hydroiodide.
What is the SMILES notation for 1-cyclohexyl-2-[[1-(2-fluorophenyl)cyclopropyl]methyl]guanidine;hydroiodide?
The canonical SMILES for 1-cyclohexyl-2-[[1-(2-fluorophenyl)cyclopropyl]methyl]guanidine;hydroiodide is I.N/C(=N\CC1(c2ccccc2F)CC1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-[[1-(2-fluorophenyl)cyclopropyl]methyl]guanidine;hydroiodide?
The InChIKey is HLPKEOJBNBCQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3.HI/c18-15-9-5-4-8-14(15)17(10-11-17)12-20-16(19)21-13-6-2-1-3-7-13;/h4-5,8-9,13H,1-3,6-7,10-12H2,(H3,19,20,21);1H.
What are the key properties of 1-cyclohexyl-2-[[1-(2-fluorophenyl)cyclopropyl]methyl]guanidine;hydroiodide?
1-cyclohexyl-2-[[1-(2-fluorophenyl)cyclopropyl]methyl]guanidine;hydroiodide has a molecular weight of 417.31 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[[1-(2-fluorophenyl)cyclopropyl]methyl]guanidine;hydroiodide is sourced from PubChem (CID 111816619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).