1-(cyclobutylmethyl)-2-(cyclohex-3-en-1-ylmethyl)guanidine;hydroiodide

C13H24IN3 — CID 119120126

IUPAC1-(cyclobutylmethyl)-2-(cyclohex-3-en-1-ylmethyl)guanidine;hydroiodide
SMILESI.N/C(=N\CC1CC=CCC1)NCC1CCC1
InChIInChI=1S/C13H23N3.HI/c14-13(16-10-12-7-4-8-12)15-9-11-5-2-1-3-6-11;/h1-2,11-12H,3-10H2,(H3,14,15,16);1H
InChIKeyKMLRMLVNKNXYNJ-UHFFFAOYSA-N
MW349.26 g/mol
LogP2.67
Rot. Bonds4

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

1-(cyclobutylmethyl)-2-(cyclohex-3-en-1-ylmethyl)guanidine;hydroiodide (PubChem CID 119120126) has the molecular formula C13H24IN3 and a molecular weight of 349.26 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-2-(cyclohex-3-en-1-ylmethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-2-(cyclohex-3-en-1-ylmethyl)guanidine;hydroiodide
PubChem CID119120126
Molecular FormulaC13H24IN3
Molecular Weight349.26 g/mol
Exact Mass349.10
IUPAC Name1-(cyclobutylmethyl)-2-(cyclohex-3-en-1-ylmethyl)guanidine;hydroiodide
SMILESI.N/C(=N\CC1CC=CCC1)NCC1CCC1
InChIInChI=1S/C13H23N3.HI/c14-13(16-10-12-7-4-8-12)15-9-11-5-2-1-3-6-11;/h1-2,11-12H,3-10H2,(H3,14,15,16);1H
InChIKeyKMLRMLVNKNXYNJ-UHFFFAOYSA-N
XLogP2.67
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.26
LogP ≤ 52.67
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 1-(cyclobutylmethyl)-2-(cyclohex-3-en-1-ylmethyl)guanidine;hydroiodide?
The IUPAC name of 1-(cyclobutylmethyl)-2-(cyclohex-3-en-1-ylmethyl)guanidine;hydroiodide (CID 119120126) is 1-(cyclobutylmethyl)-2-(cyclohex-3-en-1-ylmethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-(cyclobutylmethyl)-2-(cyclohex-3-en-1-ylmethyl)guanidine;hydroiodide?
The canonical SMILES for 1-(cyclobutylmethyl)-2-(cyclohex-3-en-1-ylmethyl)guanidine;hydroiodide is I.N/C(=N\CC1CC=CCC1)NCC1CCC1.
What is the InChIKey of 1-(cyclobutylmethyl)-2-(cyclohex-3-en-1-ylmethyl)guanidine;hydroiodide?
The InChIKey is KMLRMLVNKNXYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3.HI/c14-13(16-10-12-7-4-8-12)15-9-11-5-2-1-3-6-11;/h1-2,11-12H,3-10H2,(H3,14,15,16);1H.
What are the key properties of 1-(cyclobutylmethyl)-2-(cyclohex-3-en-1-ylmethyl)guanidine;hydroiodide?
1-(cyclobutylmethyl)-2-(cyclohex-3-en-1-ylmethyl)guanidine;hydroiodide has a molecular weight of 349.26 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-2-(cyclohex-3-en-1-ylmethyl)guanidine;hydroiodide is sourced from PubChem (CID 119120126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).