2-[2-(cyclohexen-1-yl)ethyl]-1-cyclopropyl-3-ethylguanidine

C14H25N3 — CID 110988630

IUPAC2-[2-(cyclohexen-1-yl)ethyl]-1-cyclopropyl-3-ethylguanidine
SMILESCCN/C(=N\CCC1=CCCCC1)NC1CC1
InChIInChI=1S/C14H25N3/c1-2-15-14(17-13-8-9-13)16-11-10-12-6-4-3-5-7-12/h6,13H,2-5,7-11H2,1H3,(H2,15,16,17)
InChIKeyZYYVERZPLNVRKJ-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.59
Rot. Bonds5

About 2-[2-(cyclohexen-1-yl)ethyl]-1-cyclopropyl-3-ethylguanidine

2-[2-(cyclohexen-1-yl)ethyl]-1-cyclopropyl-3-ethylguanidine (PubChem CID 110988630) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-[2-(cyclohexen-1-yl)ethyl]-1-cyclopropyl-3-ethylguanidine.

Molecular Properties

Compound Name2-[2-(cyclohexen-1-yl)ethyl]-1-cyclopropyl-3-ethylguanidine
PubChem CID110988630
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name2-[2-(cyclohexen-1-yl)ethyl]-1-cyclopropyl-3-ethylguanidine
SMILESCCN/C(=N\CCC1=CCCCC1)NC1CC1
InChIInChI=1S/C14H25N3/c1-2-15-14(17-13-8-9-13)16-11-10-12-6-4-3-5-7-12/h6,13H,2-5,7-11H2,1H3,(H2,15,16,17)
InChIKeyZYYVERZPLNVRKJ-UHFFFAOYSA-N
XLogP2.59
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.59
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-tert-butyl-2-[2-(cyclohexen-1-yl)ethyl]-3-ethylguanidine;hydroiodide
CID 110965841
2-[2-(cyclohexen-1-yl)ethyl]-1-cyclopropylguanidine
CID 51130757
2-[2-(cyclohexen-1-yl)ethyl]-1-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-ethylguanidine
CID 111756038
2-[2-(4-cyclopentyloxyphenyl)ethyl]-1-cyclopropyl-3-ethylguanidine
CID 110988788
2-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-1-ethyl-3-[4-(trifluoromethyl)cyclohexyl]guanidine;hydroiodide
CID 109393937
1-cyclopropyl-2-[2-(3,5-difluorophenyl)ethyl]-3-ethylguanidine;hydroiodide
CID 110988493
2-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-1-ethyl-3-(3-methylcyclohexyl)guanidine;hydroiodide
CID 109394247
N-[2-[[N'-[2-(cyclohexen-1-yl)ethyl]-N-ethylcarbamimidoyl]amino]ethyl]-2-(4-fluorophenyl)acetamide;hydroiodide
CID 111209649
2-[2-(cyclohexen-1-yl)ethyl]-1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethylguanidine
CID 111828775
1-[2-(cyclohexen-1-yl)ethyl]-3-ethyl-2-(3-methylsulfanylpropyl)guanidine;hydroiodide
CID 111769614
2-[2-(cyclohexen-1-yl)ethyl]-1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethylguanidine;hydroiodide
CID 111828774
1-[2-(cyclohexen-1-yl)ethyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111018460

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclohexen-1-yl)ethyl]-1-cyclopropyl-3-ethylguanidine?
The IUPAC name of 2-[2-(cyclohexen-1-yl)ethyl]-1-cyclopropyl-3-ethylguanidine (CID 110988630) is 2-[2-(cyclohexen-1-yl)ethyl]-1-cyclopropyl-3-ethylguanidine.
What is the SMILES notation for 2-[2-(cyclohexen-1-yl)ethyl]-1-cyclopropyl-3-ethylguanidine?
The canonical SMILES for 2-[2-(cyclohexen-1-yl)ethyl]-1-cyclopropyl-3-ethylguanidine is CCN/C(=N\CCC1=CCCCC1)NC1CC1.
What is the InChIKey of 2-[2-(cyclohexen-1-yl)ethyl]-1-cyclopropyl-3-ethylguanidine?
The InChIKey is ZYYVERZPLNVRKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-2-15-14(17-13-8-9-13)16-11-10-12-6-4-3-5-7-12/h6,13H,2-5,7-11H2,1H3,(H2,15,16,17).
What are the key properties of 2-[2-(cyclohexen-1-yl)ethyl]-1-cyclopropyl-3-ethylguanidine?
2-[2-(cyclohexen-1-yl)ethyl]-1-cyclopropyl-3-ethylguanidine has a molecular weight of 235.37 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclohexen-1-yl)ethyl]-1-cyclopropyl-3-ethylguanidine is sourced from PubChem (CID 110988630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).