2-(2-benzylcyclopropyl)-1-cyclohexylguanidine

C17H25N3 — CID 119148315

IUPAC2-(2-benzylcyclopropyl)-1-cyclohexylguanidine
SMILESN/C(=N\C1CC1Cc1ccccc1)NC1CCCCC1
InChIInChI=1S/C17H25N3/c18-17(19-15-9-5-2-6-10-15)20-16-12-14(16)11-13-7-3-1-4-8-13/h1,3-4,7-8,14-16H,2,5-6,9-12H2,(H3,18,19,20)
InChIKeyFQDRMMBRCPAWCJ-UHFFFAOYSA-N
MW271.41 g/mol
LogP2.85
Rot. Bonds4

About 2-(2-benzylcyclopropyl)-1-cyclohexylguanidine

2-(2-benzylcyclopropyl)-1-cyclohexylguanidine (PubChem CID 119148315) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 2-(2-benzylcyclopropyl)-1-cyclohexylguanidine.

Molecular Properties

Compound Name2-(2-benzylcyclopropyl)-1-cyclohexylguanidine
PubChem CID119148315
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name2-(2-benzylcyclopropyl)-1-cyclohexylguanidine
SMILESN/C(=N\C1CC1Cc1ccccc1)NC1CCCCC1
InChIInChI=1S/C17H25N3/c18-17(19-15-9-5-2-6-10-15)20-16-12-14(16)11-13-7-3-1-4-8-13/h1,3-4,7-8,14-16H,2,5-6,9-12H2,(H3,18,19,20)
InChIKeyFQDRMMBRCPAWCJ-UHFFFAOYSA-N
XLogP2.85
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 52.85
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

1-cyclohexyl-2-(2-phenylethyl)guanidine
CID 62364481
1-cycloheptyl-2-[(1R,2S)-2-cyclopropylcyclopropyl]guanidine
CID 122082390
1-(1-benzylpiperidin-4-yl)-2-(2-phenylcyclopropyl)guanidine;hydroiodide
CID 119118310
2-[2-(3-chlorophenyl)cyclopropyl]-1-cyclohexylguanidine
CID 111818894
1-cyclohexyl-2-(4-phenylmethoxybutyl)guanidine;hydroiodide
CID 111093612
5-benzyl-N-cyclohexyl-2,4-dioxopyrrolidine-3-carboxamide
CID 90901292
CID 162338619
CID 162338619
2-[(1R,2R)-2-(5-bromothiophen-2-yl)cyclopropyl]-1-cyclohexylguanidine;hydroiodide
CID 120663063
1-cyclohexyl-2-(2-phenylsulfanylpropyl)guanidine
CID 111676760
1-cycloheptyl-2-[(1S,2S)-2-(difluoromethyl)cyclopropyl]guanidine
CID 122082690
2-(4-benzylpiperidine-1-carbonyl)-N-cycloheptylcyclopropane-1-carboxamide
CID 109139698
1-(1-benzylpiperidin-4-yl)-2-[(1R,2S)-2-(2,6-difluorophenyl)cyclopropyl]guanidine
CID 120671276

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzylcyclopropyl)-1-cyclohexylguanidine?
The IUPAC name of 2-(2-benzylcyclopropyl)-1-cyclohexylguanidine (CID 119148315) is 2-(2-benzylcyclopropyl)-1-cyclohexylguanidine.
What is the SMILES notation for 2-(2-benzylcyclopropyl)-1-cyclohexylguanidine?
The canonical SMILES for 2-(2-benzylcyclopropyl)-1-cyclohexylguanidine is N/C(=N\C1CC1Cc1ccccc1)NC1CCCCC1.
What is the InChIKey of 2-(2-benzylcyclopropyl)-1-cyclohexylguanidine?
The InChIKey is FQDRMMBRCPAWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c18-17(19-15-9-5-2-6-10-15)20-16-12-14(16)11-13-7-3-1-4-8-13/h1,3-4,7-8,14-16H,2,5-6,9-12H2,(H3,18,19,20).
What are the key properties of 2-(2-benzylcyclopropyl)-1-cyclohexylguanidine?
2-(2-benzylcyclopropyl)-1-cyclohexylguanidine has a molecular weight of 271.41 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzylcyclopropyl)-1-cyclohexylguanidine is sourced from PubChem (CID 119148315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).