1-amino-2-(3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide

C8H20IN5 — CID 68875389

IUPAC1-amino-2-(3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide
SMILESI.NN/C(N)=N/CCCN1CCCC1
InChIInChI=1S/C8H19N5.HI/c9-8(12-10)11-4-3-7-13-5-1-2-6-13;/h1-7,10H2,(H3,9,11,12);1H
InChIKeyDUFMJJHVXBBHJM-UHFFFAOYSA-N
MW313.19 g/mol
LogP-0.13
Rot. Bonds4

About 1-amino-2-(3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide

1-amino-2-(3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide (PubChem CID 68875389) has the molecular formula C8H20IN5 and a molecular weight of 313.19 g/mol. Its IUPAC name is 1-amino-2-(3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-amino-2-(3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide
PubChem CID68875389
Molecular FormulaC8H20IN5
Molecular Weight313.19 g/mol
Exact Mass313.08
IUPAC Name1-amino-2-(3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide
SMILESI.NN/C(N)=N/CCCN1CCCC1
InChIInChI=1S/C8H19N5.HI/c9-8(12-10)11-4-3-7-13-5-1-2-6-13;/h1-7,10H2,(H3,9,11,12);1H
InChIKeyDUFMJJHVXBBHJM-UHFFFAOYSA-N
XLogP-0.13
TPSA79.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'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-amino-2-(3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide?
The IUPAC name of 1-amino-2-(3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide (CID 68875389) is 1-amino-2-(3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide.
What is the SMILES notation for 1-amino-2-(3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide?
The canonical SMILES for 1-amino-2-(3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide is I.NN/C(N)=N/CCCN1CCCC1.
What is the InChIKey of 1-amino-2-(3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide?
The InChIKey is DUFMJJHVXBBHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N5.HI/c9-8(12-10)11-4-3-7-13-5-1-2-6-13;/h1-7,10H2,(H3,9,11,12);1H.
What are the key properties of 1-amino-2-(3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide?
1-amino-2-(3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide has a molecular weight of 313.19 g/mol, XLogP of -0.13, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide is sourced from PubChem (CID 68875389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).