2-[2-(cyclohexen-1-yl)ethyl]-1-cyclopentylguanidine

C14H25N3 — CID 62368399

IUPAC2-[2-(cyclohexen-1-yl)ethyl]-1-cyclopentylguanidine
SMILESN/C(=N\CCC1=CCCCC1)NC1CCCC1
InChIInChI=1S/C14H25N3/c15-14(17-13-8-4-5-9-13)16-11-10-12-6-2-1-3-7-12/h6,13H,1-5,7-11H2,(H3,15,16,17)
InChIKeyLWHQRUJMNYWDAL-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.72
Rot. Bonds4

About 2-[2-(cyclohexen-1-yl)ethyl]-1-cyclopentylguanidine

2-[2-(cyclohexen-1-yl)ethyl]-1-cyclopentylguanidine (PubChem CID 62368399) 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-cyclopentylguanidine.

Molecular Properties

Compound Name2-[2-(cyclohexen-1-yl)ethyl]-1-cyclopentylguanidine
PubChem CID62368399
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name2-[2-(cyclohexen-1-yl)ethyl]-1-cyclopentylguanidine
SMILESN/C(=N\CCC1=CCCCC1)NC1CCCC1
InChIInChI=1S/C14H25N3/c15-14(17-13-8-4-5-9-13)16-11-10-12-6-2-1-3-7-12/h6,13H,1-5,7-11H2,(H3,15,16,17)
InChIKeyLWHQRUJMNYWDAL-UHFFFAOYSA-N
XLogP2.72
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.72
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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Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclohexen-1-yl)ethyl]-1-cyclopentylguanidine?
The IUPAC name of 2-[2-(cyclohexen-1-yl)ethyl]-1-cyclopentylguanidine (CID 62368399) is 2-[2-(cyclohexen-1-yl)ethyl]-1-cyclopentylguanidine.
What is the SMILES notation for 2-[2-(cyclohexen-1-yl)ethyl]-1-cyclopentylguanidine?
The canonical SMILES for 2-[2-(cyclohexen-1-yl)ethyl]-1-cyclopentylguanidine is N/C(=N\CCC1=CCCCC1)NC1CCCC1.
What is the InChIKey of 2-[2-(cyclohexen-1-yl)ethyl]-1-cyclopentylguanidine?
The InChIKey is LWHQRUJMNYWDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c15-14(17-13-8-4-5-9-13)16-11-10-12-6-2-1-3-7-12/h6,13H,1-5,7-11H2,(H3,15,16,17).
What are the key properties of 2-[2-(cyclohexen-1-yl)ethyl]-1-cyclopentylguanidine?
2-[2-(cyclohexen-1-yl)ethyl]-1-cyclopentylguanidine has a molecular weight of 235.37 g/mol, XLogP of 2.72, 4 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-cyclopentylguanidine is sourced from PubChem (CID 62368399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).