1-amino-2-pentylguanidine;hydroiodide

C6H17IN4 — CID 45358097

IUPAC1-amino-2-pentylguanidine;hydroiodide
SMILESCCCCC/N=C(\N)NN.I
InChIInChI=1S/C6H16N4.HI/c1-2-3-4-5-9-6(7)10-8;/h2-5,8H2,1H3,(H3,7,9,10);1H
InChIKeyIESUXRUKTRCBED-UHFFFAOYSA-N
MW272.13 g/mol
LogP0.57
Rot. Bonds4

About 1-amino-2-pentylguanidine;hydroiodide

1-amino-2-pentylguanidine;hydroiodide (PubChem CID 45358097) has the molecular formula C6H17IN4 and a molecular weight of 272.13 g/mol. Its IUPAC name is 1-amino-2-pentylguanidine;hydroiodide.

Molecular Properties

Compound Name1-amino-2-pentylguanidine;hydroiodide
PubChem CID45358097
Molecular FormulaC6H17IN4
Molecular Weight272.13 g/mol
Exact Mass272.05
IUPAC Name1-amino-2-pentylguanidine;hydroiodide
SMILESCCCCC/N=C(\N)NN.I
InChIInChI=1S/C6H16N4.HI/c1-2-3-4-5-9-6(7)10-8;/h2-5,8H2,1H3,(H3,7,9,10);1H
InChIKeyIESUXRUKTRCBED-UHFFFAOYSA-N
XLogP0.57
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.13
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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-pentylguanidine;hydroiodide?
The IUPAC name of 1-amino-2-pentylguanidine;hydroiodide (CID 45358097) is 1-amino-2-pentylguanidine;hydroiodide.
What is the SMILES notation for 1-amino-2-pentylguanidine;hydroiodide?
The canonical SMILES for 1-amino-2-pentylguanidine;hydroiodide is CCCCC/N=C(\N)NN.I.
What is the InChIKey of 1-amino-2-pentylguanidine;hydroiodide?
The InChIKey is IESUXRUKTRCBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N4.HI/c1-2-3-4-5-9-6(7)10-8;/h2-5,8H2,1H3,(H3,7,9,10);1H.
What are the key properties of 1-amino-2-pentylguanidine;hydroiodide?
1-amino-2-pentylguanidine;hydroiodide has a molecular weight of 272.13 g/mol, XLogP of 0.57, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-pentylguanidine;hydroiodide is sourced from PubChem (CID 45358097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).