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

C12H23N3 — CID 62361345

IUPAC1-[2-(cyclohexen-1-yl)ethyl]-2-propylguanidine
SMILESCCC/N=C(\N)NCCC1=CCCCC1
InChIInChI=1S/C12H23N3/c1-2-9-14-12(13)15-10-8-11-6-4-3-5-7-11/h6H,2-5,7-10H2,1H3,(H3,13,14,15)
InChIKeyRMGSFESZVCBDLK-UHFFFAOYSA-N
MW209.34 g/mol
LogP2.19
Rot. Bonds5

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

1-[2-(cyclohexen-1-yl)ethyl]-2-propylguanidine (PubChem CID 62361345) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 1-[2-(cyclohexen-1-yl)ethyl]-2-propylguanidine.

Molecular Properties

Compound Name1-[2-(cyclohexen-1-yl)ethyl]-2-propylguanidine
PubChem CID62361345
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name1-[2-(cyclohexen-1-yl)ethyl]-2-propylguanidine
SMILESCCC/N=C(\N)NCCC1=CCCCC1
InChIInChI=1S/C12H23N3/c1-2-9-14-12(13)15-10-8-11-6-4-3-5-7-11/h6H,2-5,7-10H2,1H3,(H3,13,14,15)
InChIKeyRMGSFESZVCBDLK-UHFFFAOYSA-N
XLogP2.19
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.19
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 1-[2-(cyclohexen-1-yl)ethyl]-2-propylguanidine?
The IUPAC name of 1-[2-(cyclohexen-1-yl)ethyl]-2-propylguanidine (CID 62361345) is 1-[2-(cyclohexen-1-yl)ethyl]-2-propylguanidine.
What is the SMILES notation for 1-[2-(cyclohexen-1-yl)ethyl]-2-propylguanidine?
The canonical SMILES for 1-[2-(cyclohexen-1-yl)ethyl]-2-propylguanidine is CCC/N=C(\N)NCCC1=CCCCC1.
What is the InChIKey of 1-[2-(cyclohexen-1-yl)ethyl]-2-propylguanidine?
The InChIKey is RMGSFESZVCBDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-2-9-14-12(13)15-10-8-11-6-4-3-5-7-11/h6H,2-5,7-10H2,1H3,(H3,13,14,15).
What are the key properties of 1-[2-(cyclohexen-1-yl)ethyl]-2-propylguanidine?
1-[2-(cyclohexen-1-yl)ethyl]-2-propylguanidine has a molecular weight of 209.34 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclohexen-1-yl)ethyl]-2-propylguanidine is sourced from PubChem (CID 62361345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).