2-cyclohexyl-1-phenylguanidine

C13H19N3 — CID 10900077

IUPAC2-cyclohexyl-1-phenylguanidine
SMILESN/C(=N\C1CCCCC1)Nc1ccccc1
InChIInChI=1S/C13H19N3/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2,(H3,14,15,16)
InChIKeyKSGLRGLKLQWENW-UHFFFAOYSA-N
MW217.32 g/mol
LogP2.75
Rot. Bonds2

About 2-cyclohexyl-1-phenylguanidine

2-cyclohexyl-1-phenylguanidine (PubChem CID 10900077) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 2-cyclohexyl-1-phenylguanidine.

Molecular Properties

Compound Name2-cyclohexyl-1-phenylguanidine
PubChem CID10900077
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name2-cyclohexyl-1-phenylguanidine
SMILESN/C(=N\C1CCCCC1)Nc1ccccc1
InChIInChI=1S/C13H19N3/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2,(H3,14,15,16)
InChIKeyKSGLRGLKLQWENW-UHFFFAOYSA-N
XLogP2.75
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.75
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'}

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Related Compounds

2-cyclopropyl-1-(4-phenylphenyl)guanidine
CID 62379811
2-(1-methylpiperidin-4-yl)-1-phenylguanidine
CID 62362758
2-cyclopropyl-1-(4-phenoxyphenyl)guanidine
CID 62380155
2-cyclobutyl-1-(4-ethylphenyl)guanidine
CID 119146745
1-phenyl-2-(2-propan-2-ylcyclohexyl)guanidine
CID 78965901
1-phenyl-2-(1-propylpiperidin-4-yl)guanidine
CID 55064114
2-cyclohexyl-1-(2-methylphenyl)guanidine;guanidine
CID 67865852
2-(3-methylsulfanylcyclopentyl)-1-phenylguanidine
CID 113247076
2-cyclobutyl-1-(3-propan-2-ylphenyl)guanidine
CID 119146737
2-cyclopropyl-1-naphthalen-2-ylguanidine
CID 55068735
2-cyclohexyl-1-(1-methylpyrazol-4-yl)guanidine
CID 62364515
N'-cyclohexyl-N-phenylfuran-2-carboximidamide
CID 24838234

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-phenylguanidine?
The IUPAC name of 2-cyclohexyl-1-phenylguanidine (CID 10900077) is 2-cyclohexyl-1-phenylguanidine.
What is the SMILES notation for 2-cyclohexyl-1-phenylguanidine?
The canonical SMILES for 2-cyclohexyl-1-phenylguanidine is N/C(=N\C1CCCCC1)Nc1ccccc1.
What is the InChIKey of 2-cyclohexyl-1-phenylguanidine?
The InChIKey is KSGLRGLKLQWENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2,(H3,14,15,16).
What are the key properties of 2-cyclohexyl-1-phenylguanidine?
2-cyclohexyl-1-phenylguanidine has a molecular weight of 217.32 g/mol, XLogP of 2.75, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-phenylguanidine is sourced from PubChem (CID 10900077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).