2-(cyclohex-3-en-1-ylmethyl)-1-cyclohexylguanidine;hydroiodide

C14H26IN3 — CID 119120108

IUPAC2-(cyclohex-3-en-1-ylmethyl)-1-cyclohexylguanidine;hydroiodide
SMILESI.N/C(=N\CC1CC=CCC1)NC1CCCCC1
InChIInChI=1S/C14H25N3.HI/c15-14(17-13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12;/h1,3,12-13H,2,4-11H2,(H3,15,16,17);1H
InChIKeyUZPCOUCASPKKIA-UHFFFAOYSA-N
MW363.29 g/mol
LogP3.20
Rot. Bonds3

About 2-(cyclohex-3-en-1-ylmethyl)-1-cyclohexylguanidine;hydroiodide

2-(cyclohex-3-en-1-ylmethyl)-1-cyclohexylguanidine;hydroiodide (PubChem CID 119120108) has the molecular formula C14H26IN3 and a molecular weight of 363.29 g/mol. Its IUPAC name is 2-(cyclohex-3-en-1-ylmethyl)-1-cyclohexylguanidine;hydroiodide.

Molecular Properties

Compound Name2-(cyclohex-3-en-1-ylmethyl)-1-cyclohexylguanidine;hydroiodide
PubChem CID119120108
Molecular FormulaC14H26IN3
Molecular Weight363.29 g/mol
Exact Mass363.12
IUPAC Name2-(cyclohex-3-en-1-ylmethyl)-1-cyclohexylguanidine;hydroiodide
SMILESI.N/C(=N\CC1CC=CCC1)NC1CCCCC1
InChIInChI=1S/C14H25N3.HI/c15-14(17-13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12;/h1,3,12-13H,2,4-11H2,(H3,15,16,17);1H
InChIKeyUZPCOUCASPKKIA-UHFFFAOYSA-N
XLogP3.20
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.29
LogP ≤ 53.20
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohex-3-en-1-ylmethyl)-1-cyclohexylguanidine;hydroiodide?
The IUPAC name of 2-(cyclohex-3-en-1-ylmethyl)-1-cyclohexylguanidine;hydroiodide (CID 119120108) is 2-(cyclohex-3-en-1-ylmethyl)-1-cyclohexylguanidine;hydroiodide.
What is the SMILES notation for 2-(cyclohex-3-en-1-ylmethyl)-1-cyclohexylguanidine;hydroiodide?
The canonical SMILES for 2-(cyclohex-3-en-1-ylmethyl)-1-cyclohexylguanidine;hydroiodide is I.N/C(=N\CC1CC=CCC1)NC1CCCCC1.
What is the InChIKey of 2-(cyclohex-3-en-1-ylmethyl)-1-cyclohexylguanidine;hydroiodide?
The InChIKey is UZPCOUCASPKKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3.HI/c15-14(17-13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12;/h1,3,12-13H,2,4-11H2,(H3,15,16,17);1H.
What are the key properties of 2-(cyclohex-3-en-1-ylmethyl)-1-cyclohexylguanidine;hydroiodide?
2-(cyclohex-3-en-1-ylmethyl)-1-cyclohexylguanidine;hydroiodide has a molecular weight of 363.29 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohex-3-en-1-ylmethyl)-1-cyclohexylguanidine;hydroiodide is sourced from PubChem (CID 119120108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).