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

C17H26IN3 — CID 111038799

IUPAC1-cyclohexyl-2-[(1-phenylcyclopropyl)methyl]guanidine;hydroiodide
SMILESI.N/C(=N\CC1(c2ccccc2)CC1)NC1CCCCC1
InChIInChI=1S/C17H25N3.HI/c18-16(20-15-9-5-2-6-10-15)19-13-17(11-12-17)14-7-3-1-4-8-14;/h1,3-4,7-8,15H,2,5-6,9-13H2,(H3,18,19,20);1H
InChIKeyCFORWOLOPIQJQS-UHFFFAOYSA-N
MW399.32 g/mol
LogP3.57
Rot. Bonds4

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

1-cyclohexyl-2-[(1-phenylcyclopropyl)methyl]guanidine;hydroiodide (PubChem CID 111038799) has the molecular formula C17H26IN3 and a molecular weight of 399.32 g/mol. Its IUPAC name is 1-cyclohexyl-2-[(1-phenylcyclopropyl)methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclohexyl-2-[(1-phenylcyclopropyl)methyl]guanidine;hydroiodide
PubChem CID111038799
Molecular FormulaC17H26IN3
Molecular Weight399.32 g/mol
Exact Mass399.12
IUPAC Name1-cyclohexyl-2-[(1-phenylcyclopropyl)methyl]guanidine;hydroiodide
SMILESI.N/C(=N\CC1(c2ccccc2)CC1)NC1CCCCC1
InChIInChI=1S/C17H25N3.HI/c18-16(20-15-9-5-2-6-10-15)19-13-17(11-12-17)14-7-3-1-4-8-14;/h1,3-4,7-8,15H,2,5-6,9-13H2,(H3,18,19,20);1H
InChIKeyCFORWOLOPIQJQS-UHFFFAOYSA-N
XLogP3.57
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.32
LogP ≤ 53.57
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

2-[[1-(3-chlorophenyl)cyclopropyl]methyl]-1-cyclopentylguanidine;hydroiodide
CID 119148136
1-cyclohexyl-2-[[1-(2-fluorophenyl)cyclopropyl]methyl]guanidine;hydroiodide
CID 111816619
2-[[4-(4-bromophenyl)oxan-4-yl]methyl]-1-cyclohexylguanidine;hydroiodide
CID 111097254
2-[(1-phenylcyclopentyl)methyl]guanidine;hydroiodide
CID 110914388
1-cyclopropyl-2-[(1-phenylcyclopropyl)methyl]-3-propan-2-ylguanidine;hydroiodide
CID 75533264
N-cyclohexyl-3-[[N-ethyl-N'-[(1-phenylcyclopropyl)methyl]carbamimidoyl]amino]propanamide;hydroiodide
CID 111857069
1-cyclohexyl-2-(2-phenylethyl)guanidine
CID 62364481
1-cyclohexyl-2-[[1-(hydroxymethyl)cyclohexyl]methyl]guanidine
CID 112697611
1-cyclobutyl-2-[(1-methoxy-4-phenylcyclohexyl)methyl]guanidine
CID 122096119
1-cyclohexyl-2-methyl-3-[(1-phenylcyclopropyl)methyl]guanidine
CID 75532682
1-cyclobutyl-2-[[1-[3-fluoro-5-(trifluoromethyl)phenyl]cyclopropyl]methyl]guanidine
CID 122095523
ethyl 4-[[N'-[[1-(3-bromophenyl)cyclopropyl]methyl]carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111812093

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[(1-phenylcyclopropyl)methyl]guanidine;hydroiodide?
The IUPAC name of 1-cyclohexyl-2-[(1-phenylcyclopropyl)methyl]guanidine;hydroiodide (CID 111038799) is 1-cyclohexyl-2-[(1-phenylcyclopropyl)methyl]guanidine;hydroiodide.
What is the SMILES notation for 1-cyclohexyl-2-[(1-phenylcyclopropyl)methyl]guanidine;hydroiodide?
The canonical SMILES for 1-cyclohexyl-2-[(1-phenylcyclopropyl)methyl]guanidine;hydroiodide is I.N/C(=N\CC1(c2ccccc2)CC1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-[(1-phenylcyclopropyl)methyl]guanidine;hydroiodide?
The InChIKey is CFORWOLOPIQJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3.HI/c18-16(20-15-9-5-2-6-10-15)19-13-17(11-12-17)14-7-3-1-4-8-14;/h1,3-4,7-8,15H,2,5-6,9-13H2,(H3,18,19,20);1H.
What are the key properties of 1-cyclohexyl-2-[(1-phenylcyclopropyl)methyl]guanidine;hydroiodide?
1-cyclohexyl-2-[(1-phenylcyclopropyl)methyl]guanidine;hydroiodide has a molecular weight of 399.32 g/mol, XLogP of 3.57, 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-phenylcyclopropyl)methyl]guanidine;hydroiodide is sourced from PubChem (CID 111038799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).