1-(2-cyclopropylcyclopropyl)-2-methylguanidine;hydroiodide

C8H16IN3 — CID 130614190

IUPAC1-(2-cyclopropylcyclopropyl)-2-methylguanidine;hydroiodide
SMILESC/N=C(\N)NC1CC1C1CC1.I
InChIInChI=1S/C8H15N3.HI/c1-10-8(9)11-7-4-6(7)5-2-3-5;/h5-7H,2-4H2,1H3,(H3,9,10,11);1H
InChIKeyIMFSNBTWZXYEHG-UHFFFAOYSA-N
MW281.14 g/mol
LogP0.94
Rot. Bonds2

About 1-(2-cyclopropylcyclopropyl)-2-methylguanidine;hydroiodide

1-(2-cyclopropylcyclopropyl)-2-methylguanidine;hydroiodide (PubChem CID 130614190) has the molecular formula C8H16IN3 and a molecular weight of 281.14 g/mol. Its IUPAC name is 1-(2-cyclopropylcyclopropyl)-2-methylguanidine;hydroiodide.

Molecular Properties

Compound Name1-(2-cyclopropylcyclopropyl)-2-methylguanidine;hydroiodide
PubChem CID130614190
Molecular FormulaC8H16IN3
Molecular Weight281.14 g/mol
Exact Mass281.04
IUPAC Name1-(2-cyclopropylcyclopropyl)-2-methylguanidine;hydroiodide
SMILESC/N=C(\N)NC1CC1C1CC1.I
InChIInChI=1S/C8H15N3.HI/c1-10-8(9)11-7-4-6(7)5-2-3-5;/h5-7H,2-4H2,1H3,(H3,9,10,11);1H
InChIKeyIMFSNBTWZXYEHG-UHFFFAOYSA-N
XLogP0.94
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.14
LogP ≤ 50.94
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-cyclopropylcyclopropyl)-2-methylguanidine;hydroiodide?
The IUPAC name of 1-(2-cyclopropylcyclopropyl)-2-methylguanidine;hydroiodide (CID 130614190) is 1-(2-cyclopropylcyclopropyl)-2-methylguanidine;hydroiodide.
What is the SMILES notation for 1-(2-cyclopropylcyclopropyl)-2-methylguanidine;hydroiodide?
The canonical SMILES for 1-(2-cyclopropylcyclopropyl)-2-methylguanidine;hydroiodide is C/N=C(\N)NC1CC1C1CC1.I.
What is the InChIKey of 1-(2-cyclopropylcyclopropyl)-2-methylguanidine;hydroiodide?
The InChIKey is IMFSNBTWZXYEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3.HI/c1-10-8(9)11-7-4-6(7)5-2-3-5;/h5-7H,2-4H2,1H3,(H3,9,10,11);1H.
What are the key properties of 1-(2-cyclopropylcyclopropyl)-2-methylguanidine;hydroiodide?
1-(2-cyclopropylcyclopropyl)-2-methylguanidine;hydroiodide has a molecular weight of 281.14 g/mol, XLogP of 0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropylcyclopropyl)-2-methylguanidine;hydroiodide is sourced from PubChem (CID 130614190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).