2-[2-(cyclohexen-1-yl)ethyl]-1-cyclopropylguanidine;hydroiodide

C12H22IN3 — CID 51130756

IUPAC2-[2-(cyclohexen-1-yl)ethyl]-1-cyclopropylguanidine;hydroiodide
SMILESI.N/C(=N\CCC1=CCCCC1)NC1CC1
InChIInChI=1S/C12H21N3.HI/c13-12(15-11-6-7-11)14-9-8-10-4-2-1-3-5-10;/h4,11H,1-3,5-9H2,(H3,13,14,15);1H
InChIKeyFPAMRQMPBXGYNL-UHFFFAOYSA-N
MW335.23 g/mol
LogP2.56
Rot. Bonds4

About 2-[2-(cyclohexen-1-yl)ethyl]-1-cyclopropylguanidine;hydroiodide

2-[2-(cyclohexen-1-yl)ethyl]-1-cyclopropylguanidine;hydroiodide (PubChem CID 51130756) has the molecular formula C12H22IN3 and a molecular weight of 335.23 g/mol. Its IUPAC name is 2-[2-(cyclohexen-1-yl)ethyl]-1-cyclopropylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-(cyclohexen-1-yl)ethyl]-1-cyclopropylguanidine;hydroiodide
PubChem CID51130756
Molecular FormulaC12H22IN3
Molecular Weight335.23 g/mol
Exact Mass335.09
IUPAC Name2-[2-(cyclohexen-1-yl)ethyl]-1-cyclopropylguanidine;hydroiodide
SMILESI.N/C(=N\CCC1=CCCCC1)NC1CC1
InChIInChI=1S/C12H21N3.HI/c13-12(15-11-6-7-11)14-9-8-10-4-2-1-3-5-10;/h4,11H,1-3,5-9H2,(H3,13,14,15);1H
InChIKeyFPAMRQMPBXGYNL-UHFFFAOYSA-N
XLogP2.56
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.23
LogP ≤ 52.56
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': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[2-(cyclohexen-1-yl)ethyl]-1-cyclopropylguanidine;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclohexen-1-yl)ethyl]-1-cyclopropylguanidine;hydroiodide?
The IUPAC name of 2-[2-(cyclohexen-1-yl)ethyl]-1-cyclopropylguanidine;hydroiodide (CID 51130756) is 2-[2-(cyclohexen-1-yl)ethyl]-1-cyclopropylguanidine;hydroiodide.
What is the SMILES notation for 2-[2-(cyclohexen-1-yl)ethyl]-1-cyclopropylguanidine;hydroiodide?
The canonical SMILES for 2-[2-(cyclohexen-1-yl)ethyl]-1-cyclopropylguanidine;hydroiodide is I.N/C(=N\CCC1=CCCCC1)NC1CC1.
What is the InChIKey of 2-[2-(cyclohexen-1-yl)ethyl]-1-cyclopropylguanidine;hydroiodide?
The InChIKey is FPAMRQMPBXGYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3.HI/c13-12(15-11-6-7-11)14-9-8-10-4-2-1-3-5-10;/h4,11H,1-3,5-9H2,(H3,13,14,15);1H.
What are the key properties of 2-[2-(cyclohexen-1-yl)ethyl]-1-cyclopropylguanidine;hydroiodide?
2-[2-(cyclohexen-1-yl)ethyl]-1-cyclopropylguanidine;hydroiodide has a molecular weight of 335.23 g/mol, XLogP of 2.56, 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-cyclopropylguanidine;hydroiodide is sourced from PubChem (CID 51130756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).