2-(cyclohex-3-en-1-ylmethyl)-1,1,3,3-tetramethylguanidine;hydroiodide

C12H24IN3 — CID 86777332

IUPAC2-(cyclohex-3-en-1-ylmethyl)-1,1,3,3-tetramethylguanidine;hydroiodide
SMILESCN(C)C(=NCC1CC=CCC1)N(C)C.I
InChIInChI=1S/C12H23N3.HI/c1-14(2)12(15(3)4)13-10-11-8-6-5-7-9-11;/h5-6,11H,7-10H2,1-4H3;1H
InChIKeyQFWMDTVSYTUKSO-UHFFFAOYSA-N
MW337.25 g/mol
LogP2.44
Rot. Bonds2

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

2-(cyclohex-3-en-1-ylmethyl)-1,1,3,3-tetramethylguanidine;hydroiodide (PubChem CID 86777332) has the molecular formula C12H24IN3 and a molecular weight of 337.25 g/mol. Its IUPAC name is 2-(cyclohex-3-en-1-ylmethyl)-1,1,3,3-tetramethylguanidine;hydroiodide.

Molecular Properties

Compound Name2-(cyclohex-3-en-1-ylmethyl)-1,1,3,3-tetramethylguanidine;hydroiodide
PubChem CID86777332
Molecular FormulaC12H24IN3
Molecular Weight337.25 g/mol
Exact Mass337.10
IUPAC Name2-(cyclohex-3-en-1-ylmethyl)-1,1,3,3-tetramethylguanidine;hydroiodide
SMILESCN(C)C(=NCC1CC=CCC1)N(C)C.I
InChIInChI=1S/C12H23N3.HI/c1-14(2)12(15(3)4)13-10-11-8-6-5-7-9-11;/h5-6,11H,7-10H2,1-4H3;1H
InChIKeyQFWMDTVSYTUKSO-UHFFFAOYSA-N
XLogP2.44
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.25
LogP ≤ 52.44
H-Bond Donors ≤ 50
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)-1,1,3,3-tetramethylguanidine;hydroiodide?
The IUPAC name of 2-(cyclohex-3-en-1-ylmethyl)-1,1,3,3-tetramethylguanidine;hydroiodide (CID 86777332) is 2-(cyclohex-3-en-1-ylmethyl)-1,1,3,3-tetramethylguanidine;hydroiodide.
What is the SMILES notation for 2-(cyclohex-3-en-1-ylmethyl)-1,1,3,3-tetramethylguanidine;hydroiodide?
The canonical SMILES for 2-(cyclohex-3-en-1-ylmethyl)-1,1,3,3-tetramethylguanidine;hydroiodide is CN(C)C(=NCC1CC=CCC1)N(C)C.I.
What is the InChIKey of 2-(cyclohex-3-en-1-ylmethyl)-1,1,3,3-tetramethylguanidine;hydroiodide?
The InChIKey is QFWMDTVSYTUKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3.HI/c1-14(2)12(15(3)4)13-10-11-8-6-5-7-9-11;/h5-6,11H,7-10H2,1-4H3;1H.
What are the key properties of 2-(cyclohex-3-en-1-ylmethyl)-1,1,3,3-tetramethylguanidine;hydroiodide?
2-(cyclohex-3-en-1-ylmethyl)-1,1,3,3-tetramethylguanidine;hydroiodide has a molecular weight of 337.25 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohex-3-en-1-ylmethyl)-1,1,3,3-tetramethylguanidine;hydroiodide is sourced from PubChem (CID 86777332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).