1-(cyclohex-3-en-1-ylmethyl)-2-methyl-3-prop-2-enylguanidine;hydroiodide

C12H22IN3 — CID 119116301

IUPAC1-(cyclohex-3-en-1-ylmethyl)-2-methyl-3-prop-2-enylguanidine;hydroiodide
SMILESC=CCN/C(=N\C)NCC1CC=CCC1.I
InChIInChI=1S/C12H21N3.HI/c1-3-9-14-12(13-2)15-10-11-7-5-4-6-8-11;/h3-5,11H,1,6-10H2,2H3,(H2,13,14,15);1H
InChIKeyHIRPXVUWUCNJCT-UHFFFAOYSA-N
MW335.23 g/mol
LogP2.31
Rot. Bonds4

About 1-(cyclohex-3-en-1-ylmethyl)-2-methyl-3-prop-2-enylguanidine;hydroiodide

1-(cyclohex-3-en-1-ylmethyl)-2-methyl-3-prop-2-enylguanidine;hydroiodide (PubChem CID 119116301) has the molecular formula C12H22IN3 and a molecular weight of 335.23 g/mol. Its IUPAC name is 1-(cyclohex-3-en-1-ylmethyl)-2-methyl-3-prop-2-enylguanidine;hydroiodide.

Molecular Properties

Compound Name1-(cyclohex-3-en-1-ylmethyl)-2-methyl-3-prop-2-enylguanidine;hydroiodide
PubChem CID119116301
Molecular FormulaC12H22IN3
Molecular Weight335.23 g/mol
Exact Mass335.09
IUPAC Name1-(cyclohex-3-en-1-ylmethyl)-2-methyl-3-prop-2-enylguanidine;hydroiodide
SMILESC=CCN/C(=N\C)NCC1CC=CCC1.I
InChIInChI=1S/C12H21N3.HI/c1-3-9-14-12(13-2)15-10-11-7-5-4-6-8-11;/h3-5,11H,1,6-10H2,2H3,(H2,13,14,15);1H
InChIKeyHIRPXVUWUCNJCT-UHFFFAOYSA-N
XLogP2.31
TPSA36.42 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 ≤ 52.31
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-(cyclohex-3-en-1-ylmethyl)-2-methyl-3-prop-2-enylguanidine;hydroiodide?
The IUPAC name of 1-(cyclohex-3-en-1-ylmethyl)-2-methyl-3-prop-2-enylguanidine;hydroiodide (CID 119116301) is 1-(cyclohex-3-en-1-ylmethyl)-2-methyl-3-prop-2-enylguanidine;hydroiodide.
What is the SMILES notation for 1-(cyclohex-3-en-1-ylmethyl)-2-methyl-3-prop-2-enylguanidine;hydroiodide?
The canonical SMILES for 1-(cyclohex-3-en-1-ylmethyl)-2-methyl-3-prop-2-enylguanidine;hydroiodide is C=CCN/C(=N\C)NCC1CC=CCC1.I.
What is the InChIKey of 1-(cyclohex-3-en-1-ylmethyl)-2-methyl-3-prop-2-enylguanidine;hydroiodide?
The InChIKey is HIRPXVUWUCNJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3.HI/c1-3-9-14-12(13-2)15-10-11-7-5-4-6-8-11;/h3-5,11H,1,6-10H2,2H3,(H2,13,14,15);1H.
What are the key properties of 1-(cyclohex-3-en-1-ylmethyl)-2-methyl-3-prop-2-enylguanidine;hydroiodide?
1-(cyclohex-3-en-1-ylmethyl)-2-methyl-3-prop-2-enylguanidine;hydroiodide has a molecular weight of 335.23 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohex-3-en-1-ylmethyl)-2-methyl-3-prop-2-enylguanidine;hydroiodide is sourced from PubChem (CID 119116301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).