2-methyl-1-(2-methylcyclopropyl)-3-(2-propylcyclopropyl)guanidine;hydroiodide

C12H24IN3 — CID 111713631

IUPAC2-methyl-1-(2-methylcyclopropyl)-3-(2-propylcyclopropyl)guanidine;hydroiodide
SMILESCCCC1CC1N/C(=N/C)NC1CC1C.I
InChIInChI=1S/C12H23N3.HI/c1-4-5-9-7-11(9)15-12(13-3)14-10-6-8(10)2;/h8-11H,4-7H2,1-3H3,(H2,13,14,15);1H
InChIKeyVUAAJEZNBPMOJJ-UHFFFAOYSA-N
MW337.25 g/mol
LogP2.37
Rot. Bonds4

About 2-methyl-1-(2-methylcyclopropyl)-3-(2-propylcyclopropyl)guanidine;hydroiodide

2-methyl-1-(2-methylcyclopropyl)-3-(2-propylcyclopropyl)guanidine;hydroiodide (PubChem CID 111713631) has the molecular formula C12H24IN3 and a molecular weight of 337.25 g/mol. Its IUPAC name is 2-methyl-1-(2-methylcyclopropyl)-3-(2-propylcyclopropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-methyl-1-(2-methylcyclopropyl)-3-(2-propylcyclopropyl)guanidine;hydroiodide
PubChem CID111713631
Molecular FormulaC12H24IN3
Molecular Weight337.25 g/mol
Exact Mass337.10
IUPAC Name2-methyl-1-(2-methylcyclopropyl)-3-(2-propylcyclopropyl)guanidine;hydroiodide
SMILESCCCC1CC1N/C(=N/C)NC1CC1C.I
InChIInChI=1S/C12H23N3.HI/c1-4-5-9-7-11(9)15-12(13-3)14-10-6-8(10)2;/h8-11H,4-7H2,1-3H3,(H2,13,14,15);1H
InChIKeyVUAAJEZNBPMOJJ-UHFFFAOYSA-N
XLogP2.37
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
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 2-methyl-1-(2-methylcyclopropyl)-3-(2-propylcyclopropyl)guanidine;hydroiodide?
The IUPAC name of 2-methyl-1-(2-methylcyclopropyl)-3-(2-propylcyclopropyl)guanidine;hydroiodide (CID 111713631) is 2-methyl-1-(2-methylcyclopropyl)-3-(2-propylcyclopropyl)guanidine;hydroiodide.
What is the SMILES notation for 2-methyl-1-(2-methylcyclopropyl)-3-(2-propylcyclopropyl)guanidine;hydroiodide?
The canonical SMILES for 2-methyl-1-(2-methylcyclopropyl)-3-(2-propylcyclopropyl)guanidine;hydroiodide is CCCC1CC1N/C(=N/C)NC1CC1C.I.
What is the InChIKey of 2-methyl-1-(2-methylcyclopropyl)-3-(2-propylcyclopropyl)guanidine;hydroiodide?
The InChIKey is VUAAJEZNBPMOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3.HI/c1-4-5-9-7-11(9)15-12(13-3)14-10-6-8(10)2;/h8-11H,4-7H2,1-3H3,(H2,13,14,15);1H.
What are the key properties of 2-methyl-1-(2-methylcyclopropyl)-3-(2-propylcyclopropyl)guanidine;hydroiodide?
2-methyl-1-(2-methylcyclopropyl)-3-(2-propylcyclopropyl)guanidine;hydroiodide has a molecular weight of 337.25 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methylcyclopropyl)-3-(2-propylcyclopropyl)guanidine;hydroiodide is sourced from PubChem (CID 111713631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).