2-[2-(3-chlorophenyl)cyclopropyl]-1-cyclohexylguanidine

C16H22ClN3 — CID 111818894

IUPAC2-[2-(3-chlorophenyl)cyclopropyl]-1-cyclohexylguanidine
SMILESN/C(=N\C1CC1c1cccc(Cl)c1)NC1CCCCC1
InChIInChI=1S/C16H22ClN3/c17-12-6-4-5-11(9-12)14-10-15(14)20-16(18)19-13-7-2-1-3-8-13/h4-6,9,13-15H,1-3,7-8,10H2,(H3,18,19,20)
InChIKeyXFDDIHRWJBKQKE-UHFFFAOYSA-N
MW291.83 g/mol
LogP3.43
Rot. Bonds3

About 2-[2-(3-chlorophenyl)cyclopropyl]-1-cyclohexylguanidine

2-[2-(3-chlorophenyl)cyclopropyl]-1-cyclohexylguanidine (PubChem CID 111818894) has the molecular formula C16H22ClN3 and a molecular weight of 291.83 g/mol. Its IUPAC name is 2-[2-(3-chlorophenyl)cyclopropyl]-1-cyclohexylguanidine.

Molecular Properties

Compound Name2-[2-(3-chlorophenyl)cyclopropyl]-1-cyclohexylguanidine
PubChem CID111818894
Molecular FormulaC16H22ClN3
Molecular Weight291.83 g/mol
Exact Mass291.15
IUPAC Name2-[2-(3-chlorophenyl)cyclopropyl]-1-cyclohexylguanidine
SMILESN/C(=N\C1CC1c1cccc(Cl)c1)NC1CCCCC1
InChIInChI=1S/C16H22ClN3/c17-12-6-4-5-11(9-12)14-10-15(14)20-16(18)19-13-7-2-1-3-8-13/h4-6,9,13-15H,1-3,7-8,10H2,(H3,18,19,20)
InChIKeyXFDDIHRWJBKQKE-UHFFFAOYSA-N
XLogP3.43
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.83
LogP ≤ 53.43
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-[(1R,2S)-2-(3,4,5-trifluorophenyl)cyclopropyl]guanidine;hydroiodide
CID 120671387
2-[2-(3-chlorophenoxy)ethyl]-1-cyclohexylguanidine
CID 111071423
2-[(1R,2R)-2-(5-bromothiophen-2-yl)cyclopropyl]-1-cyclohexylguanidine;hydroiodide
CID 120663063
1-(1-benzylpiperidin-4-yl)-2-(2-phenylcyclopropyl)guanidine;hydroiodide
CID 119118310
1-[3-(3-chlorophenyl)cyclobutyl]-2-(cyclobutylmethyl)guanidine
CID 120671626
1-[3-(3-chlorophenyl)cyclobutyl]-2-(cyclobutylmethyl)guanidine;hydroiodide
CID 120671625
2-(3-chlorophenyl)cyclohexan-1-ol
CID 14382197
2-(2-benzylcyclopropyl)-1-cyclohexylguanidine
CID 119148315
2-[[1-(3-chlorophenyl)cyclopropyl]methyl]-1-cyclopentylguanidine;hydroiodide
CID 119148136
1-chloro-3-(cyclopentylmethyl)benzene;cyclohexylurea
CID 170579151
1-amino-2-(2-phenylcyclopropyl)guanidine
CID 64866667
N'-[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-2-methylmorpholine-4-carboximidamide
CID 120671238

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chlorophenyl)cyclopropyl]-1-cyclohexylguanidine?
The IUPAC name of 2-[2-(3-chlorophenyl)cyclopropyl]-1-cyclohexylguanidine (CID 111818894) is 2-[2-(3-chlorophenyl)cyclopropyl]-1-cyclohexylguanidine.
What is the SMILES notation for 2-[2-(3-chlorophenyl)cyclopropyl]-1-cyclohexylguanidine?
The canonical SMILES for 2-[2-(3-chlorophenyl)cyclopropyl]-1-cyclohexylguanidine is N/C(=N\C1CC1c1cccc(Cl)c1)NC1CCCCC1.
What is the InChIKey of 2-[2-(3-chlorophenyl)cyclopropyl]-1-cyclohexylguanidine?
The InChIKey is XFDDIHRWJBKQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3/c17-12-6-4-5-11(9-12)14-10-15(14)20-16(18)19-13-7-2-1-3-8-13/h4-6,9,13-15H,1-3,7-8,10H2,(H3,18,19,20).
What are the key properties of 2-[2-(3-chlorophenyl)cyclopropyl]-1-cyclohexylguanidine?
2-[2-(3-chlorophenyl)cyclopropyl]-1-cyclohexylguanidine has a molecular weight of 291.83 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chlorophenyl)cyclopropyl]-1-cyclohexylguanidine is sourced from PubChem (CID 111818894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).