1-(2-cyclohexylcyclopropyl)-2,3-dimethylguanidine;hydroiodide

C12H24IN3 — CID 75512257

IUPAC1-(2-cyclohexylcyclopropyl)-2,3-dimethylguanidine;hydroiodide
SMILESC/N=C(\NC)NC1CC1C1CCCCC1.I
InChIInChI=1S/C12H23N3.HI/c1-13-12(14-2)15-11-8-10(11)9-6-4-3-5-7-9;/h9-11H,3-8H2,1-2H3,(H2,13,14,15);1H
InChIKeyGQBWWQVSVJDNHI-UHFFFAOYSA-N
MW337.25 g/mol
LogP2.37
Rot. Bonds2

About 1-(2-cyclohexylcyclopropyl)-2,3-dimethylguanidine;hydroiodide

1-(2-cyclohexylcyclopropyl)-2,3-dimethylguanidine;hydroiodide (PubChem CID 75512257) has the molecular formula C12H24IN3 and a molecular weight of 337.25 g/mol. Its IUPAC name is 1-(2-cyclohexylcyclopropyl)-2,3-dimethylguanidine;hydroiodide.

Molecular Properties

Compound Name1-(2-cyclohexylcyclopropyl)-2,3-dimethylguanidine;hydroiodide
PubChem CID75512257
Molecular FormulaC12H24IN3
Molecular Weight337.25 g/mol
Exact Mass337.10
IUPAC Name1-(2-cyclohexylcyclopropyl)-2,3-dimethylguanidine;hydroiodide
SMILESC/N=C(\NC)NC1CC1C1CCCCC1.I
InChIInChI=1S/C12H23N3.HI/c1-13-12(14-2)15-11-8-10(11)9-6-4-3-5-7-9;/h9-11H,3-8H2,1-2H3,(H2,13,14,15);1H
InChIKeyGQBWWQVSVJDNHI-UHFFFAOYSA-N
XLogP2.37
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.25
LogP ≤ 52.37
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexylcyclopropyl)-2,3-dimethylguanidine;hydroiodide?
The IUPAC name of 1-(2-cyclohexylcyclopropyl)-2,3-dimethylguanidine;hydroiodide (CID 75512257) is 1-(2-cyclohexylcyclopropyl)-2,3-dimethylguanidine;hydroiodide.
What is the SMILES notation for 1-(2-cyclohexylcyclopropyl)-2,3-dimethylguanidine;hydroiodide?
The canonical SMILES for 1-(2-cyclohexylcyclopropyl)-2,3-dimethylguanidine;hydroiodide is C/N=C(\NC)NC1CC1C1CCCCC1.I.
What is the InChIKey of 1-(2-cyclohexylcyclopropyl)-2,3-dimethylguanidine;hydroiodide?
The InChIKey is GQBWWQVSVJDNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3.HI/c1-13-12(14-2)15-11-8-10(11)9-6-4-3-5-7-9;/h9-11H,3-8H2,1-2H3,(H2,13,14,15);1H.
What are the key properties of 1-(2-cyclohexylcyclopropyl)-2,3-dimethylguanidine;hydroiodide?
1-(2-cyclohexylcyclopropyl)-2,3-dimethylguanidine;hydroiodide has a molecular weight of 337.25 g/mol, XLogP of 2.37, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexylcyclopropyl)-2,3-dimethylguanidine;hydroiodide is sourced from PubChem (CID 75512257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).